2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(isobutylcarbamoyl)acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15(2)13-22-20(28)23-18(27)14-29-21-25-24-19(16-9-5-3-6-10-16)26(21)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H2,22,23,27,28)