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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(butylcarbamoyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(butylcarbamoyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-[butylamino(oxo)methyl]acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(butylcarbamoyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(butylcarbamoyl)acetamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C17H22N6O3S/c1-3-4-8-18-16(26)21-15(25)10-27-17-22-19-11-23(17)14-7-5-6-13(9-14)20-12(2)24/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,20,24)(H2,18,21,25,26)