J2O
Summary
| Name: | 3-chloranyl-11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{4}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine |
| Formula: | C9 H10 Au Cl N3 O S |
| Formal charge: | null |
| Formula weight: | 440.68 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [2-({(1S)-2-[amino(sulfido-kappaS)methylidene]hydrazin-1-id-1-yl-kappaN~1~}methyl)-4-methylphenolato-kappaO]chloridogold |
| OpenEye OEToolkits | 3.1.0.0 | 3-chloranyl-11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{4}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc2O[Au]3(Cl)SC(N)=NN3Cc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H12N3OS.Au.ClH/c1-6-2-3-8(13)7(4-6)5-11-12-9(10)14;;/h2-4,13H,5H2,1H3,(H3,10,12,14);;1H/q-1;+4;/p-3 |
| InChIKey | InChI | 1.06 | RFRLOIOFABKRHX-UHFFFAOYSA-K |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2O[Au@]3(Cl)SC(=NN3Cc2c1)N |
| SMILES | CACTVS | 3.385 | Cc1ccc2O[Au]3(Cl)SC(=NN3Cc2c1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)CN3N=C(S[Au]3(O2)Cl)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)CN3N=C(S[Au]3(O2)Cl)N |
