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

Systemtic Name: 4-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C19H19N3OS MolecularWeight: 337.43866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C

InChI

InChI=1S/C19H19N3OS/c1-14-7-6-8-16(13-14)18-20-21-19(24-12-11-15(2)23)22(18)17-9-4-3-5-10-17/h3-10,13H,11-12H2,1-2H3