2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(isobutylcarbamoyl)propionamide Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C18H24N6O3S/c1-11(2)9-19-17(27)22-16(26)12(3)28-18-23-20-10-24(18)15-7-5-6-14(8-15)21-13(4)25/h5-8,10-12H,9H2,1-4H3,(H,21,25)(H2,19,22,26,27)