L5S
Summary
| Name: | 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene |
| Formula: | C15 H12 N4 S |
| Formal charge: | 0 |
| Formula weight: | 280.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2=C(c3ccsc3n1c(nnc1C)C2)c4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C15H12N4S/c1-10-17-18-13-9-16-14(11-5-3-2-4-6-11)12-7-8-20-15(12)19(10)13/h2-8H,9H2,1H3 |
| InChIKey | InChI | 1.03 | SIRFTOWPWPCSOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2CN=C(c3ccccc3)c4ccsc4n12 |
| SMILES | CACTVS | 3.385 | Cc1nnc2CN=C(c3ccccc3)c4ccsc4n12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4 |
