1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H17N3OS MolecularWeight: 323.41208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3OS/c1-13-8-9-15(10-14(13)2)17(22)11-23-18-19-12-21(20-18)16-6-4-3-5-7-16/h3-10,12H,11H2,1-2H3