A1A2H
Summary
| Name: | N-cyclopropyl-5-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine |
| Formula: | C13 H13 N7 S2 |
| Formal charge: | 0 |
| Formula weight: | 331.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cyclopropyl-5-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-cyclopropyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Sc1nnc(NC2CC2)s1)c1nnnn1c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H13N7S2/c1-2-4-10(5-3-1)20-11(15-18-19-20)8-21-13-17-16-12(22-13)14-9-6-7-9/h1-5,9H,6-8H2,(H,14,16) |
| InChIKey | InChI | 1.06 | USQKDPBQGLRUOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC1Nc2sc(SCc3nnnn3c4ccccc4)nn2 |
| SMILES | CACTVS | 3.385 | C1CC1Nc2sc(SCc3nnnn3c4ccccc4)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2c(nnn2)CSc3nnc(s3)NC4CC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2c(nnn2)CSc3nnc(s3)NC4CC4 |
