NJZ
Summary
| Name: | [3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate |
| Formula: | C10 H13 Br N4 S2 |
| Formal charge: | 0 |
| Formula weight: | 333.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13BrN4S2/c11-8-2-6(4-16-9(12)13)1-7(3-8)5-17-10(14)15/h1-3H,4-5H2,(H3,12,13)(H3,14,15) |
| InChIKey | InChI | 1.03 | KHMFYTPEFLUGGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)SCc1cc(Br)cc(CSC(N)=N)c1 |
| SMILES | CACTVS | 3.385 | NC(=N)SCc1cc(Br)cc(CSC(N)=N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1CSC(=N)N)Br)CSC(=N)N |
