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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-oxidanyl-phenyl)ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxy-4-methyl-phenyl)acetamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-hydroxy-4-methylphenyl)acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-hydroxy-4-methyl-phenyl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)O

InChI

InChI=1S/C21H22N4O2S/c1-14-7-10-17(18(26)11-14)22-19(27)13-28-21-24-23-20(16-8-9-16)25(21)12-15-5-3-2-4-6-15/h2-7,10-11,16,26H,8-9,12-13H2,1H3,(H,22,27)