2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenyl-acetamide Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

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