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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-heptan-2-ylacetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-ylacetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2S/c1-4-5-6-8-15(2)23-20(29)14-30-22-26-25-21(17-11-12-17)27(22)19-10-7-9-18(13-19)24-16(3)28/h7,9-10,13,15,17H,4-6,8,11-12,14H2,1-3H3,(H,23,29)(H,24,28)