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

Systemtic Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[cyclopropyl(p-tolyl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[cyclopropyl(p-tolyl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15-7-9-16(10-8-15)20(17-11-12-17)23-19(26)13-27-21-24-22-14-25(21)18-5-3-2-4-6-18/h2-10,14,17,20H,11-13H2,1H3,(H,23,26)