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

Systemtic Name: 3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4OS/c1-12-6-4-5-7-16(12)22-17(15-8-10-19-11-9-15)20-21-18(22)24-14(3)13(2)23/h4-11,14H,1-3H3