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

Systemtic Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H23N3OS/c1-4-6-17-9-11-18(12-10-17)20(25)14-26-21-23-22-16(3)24(21)19-8-5-7-15(2)13-19/h5,7-13H,4,6,14H2,1-3H3