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

Systemtic Name: N-(cyanomethyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C24H20N6O2S MolecularWeight: 456.5196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O2S/c1-32-21-9-7-20(8-10-21)30-23(18-11-14-26-15-12-18)27-28-24(30)33-17-22(31)29(16-13-25)19-5-3-2-4-6-19/h2-12,14-15H,16-17H2,1H3