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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H17N7O4S MolecularWeight: 439.44778

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=NC=C3

InChI

InChI=1S/C19H17N7O4S/c1-30-9-8-25-18(13-4-6-21-7-5-13)23-24-19(25)31-12-17(27)22-16-3-2-15(26(28)29)10-14(16)11-20/h2-7,10H,8-9,12H2,1H3,(H,22,27)