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

Systemtic Name: 1-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4OS/c1-3-14-4-6-16(7-5-14)22-17(15-8-10-19-11-9-15)20-21-18(22)24-12-13(2)23/h4-11H,3,12H2,1-2H3