A1D6U
Summary
| Name: | chlorido{N,N-dimethyl-N'-[2-methyl-1-(pyridin-2-yl-kappaN)propylidene]carbamohydrazonothioato-kappa~2~N',S}copper(2+) |
| Formula: | C12 H17 Cl Cu N4 S |
| Formal charge: | null |
| Formula weight: | 348.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | chlorido{N,N-dimethyl-N'-[2-methyl-1-(pyridin-2-yl-kappaN)propylidene]carbamohydrazonothioato-kappa~2~N',S}copper(2+) |
| OpenEye OEToolkits | 3.1.0.0 | 2-chloranyl-~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C=1c2cccc[n+]2[Cu]2(Cl)SC(=N[N+]=12)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C12H18N4S.ClH.Cu/c1-9(2)11(10-7-5-6-8-13-10)14-15-12(17)16(3)4;;/h5-9H,1-4H3,(H,15,17);1H;/q;;+4/p-2/b14-11+;; |
| InChIKey | InChI | 1.06 | PMBQWDICZLCNIC-IVKCLRODSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=[N+]2N=C(S[Cu@@]2(Cl)[n+]3ccccc13)N(C)C |
| SMILES | CACTVS | 3.385 | CC(C)C1=[N+]2N=C(S[Cu]2(Cl)[n+]3ccccc13)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)C1=[N+]2N=C(S[Cu]2([n+]3c1cccc3)Cl)N(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)C1=[N+]2N=C(S[Cu]2([n+]3c1cccc3)Cl)N(C)C |
