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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H17N7O4S MolecularWeight: 487.49058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=NC=C4

InChI

InChI=1S/C23H17N7O4S/c1-34-19-5-2-17(3-6-19)29-22(15-8-10-25-11-9-15)27-28-23(29)35-14-21(31)26-20-7-4-18(30(32)33)12-16(20)13-24/h2-12H,14H2,1H3,(H,26,31)