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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H21N5O2S/c1-22-20(28)23-19(27)17(14-8-4-2-5-9-14)29-21-25-24-18(15-12-13-15)26(21)16-10-6-3-7-11-16/h2-11,15,17H,12-13H2,1H3,(H2,22,23,27,28)