1RV
Summary
| Name: | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide |
| Formula: | C9 H9 N5 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 283.33 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1c(scc1)NC(=O)CSc2ncnn2)N |
| InChI | InChI | 1.03 | InChI=1S/C9H9N5O2S2/c10-7(16)5-1-2-17-8(5)13-6(15)3-18-9-11-4-12-14-9/h1-2,4H,3H2,(H2,10,16)(H,13,15)(H,11,12,14) |
| InChIKey | InChI | 1.03 | JVENGIHWHCEXOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccsc1NC(=O)CSc2[nH]ncn2 |
| SMILES | CACTVS | 3.370 | NC(=O)c1ccsc1NC(=O)CSc2[nH]ncn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2 |
