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

Systemtic Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[[4-methyl-5-(p-tolyl)-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)C2=NN=C(N2C)SC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N3OS/c1-13-5-9-16(10-6-13)18(24)15(3)25-20-22-21-19(23(20)4)17-11-7-14(2)8-12-17/h5-12,15H,1-4H3