1-(4-methylphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 1-(4-methylphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3OS/c1-14-9-11-18(12-10-14)19(24)15(2)25-20-22-21-16(3)23(20)13-17-7-5-4-6-8-17/h4-12,15H,13H2,1-3H3