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

Systemtic Name: 1-(4-butylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-butylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-butylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-butylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4OS/c1-3-4-5-15-6-8-16(9-7-15)18(25)14-26-20-23-22-19(24(20)2)17-10-12-21-13-11-17/h6-13H,3-5,14H2,1-2H3