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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

InChI

InChI=1S/C20H27N5O2S/c1-4-6-13(2)21-18(27)12-28-20-24-23-19(15-9-10-15)25(20)17-8-5-7-16(11-17)22-14(3)26/h5,7-8,11,13,15H,4,6,9-10,12H2,1-3H3,(H,21,27)(H,22,26)