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

Systemtic Name: 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H18N4O2S MolecularWeight: 402.46892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H18N4O2S/c1-28-19-9-7-16(8-10-19)20(27)15-29-22-25-24-21(17-11-13-23-14-12-17)26(22)18-5-3-2-4-6-18/h2-14H,15H2,1H3