4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H23N5O2S/c1-35-25-13-11-24(12-14-25)33-26(21-15-17-29-18-16-21)31-32-28(33)36-19-20-7-9-22(10-8-20)27(34)30-23-5-3-2-4-6-23/h2-18H,19H2,1H3,(H,30,34)