2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-[(cyclopentylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(cyclopentylcarbamoyl)acetamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC(=O)NC3CCCC3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC(=O)NC3CCCC3)C4CC4

InChI

InChI=1S/C21H26N6O3S/c1-13(28)22-16-7-4-8-17(11-16)27-19(14-9-10-14)25-26-21(27)31-12-18(29)24-20(30)23-15-5-2-3-6-15/h4,7-8,11,14-15H,2-3,5-6,9-10,12H2,1H3,(H,22,28)(H2,23,24,29,30)