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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H14N6O4S MolecularWeight: 410.40656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H14N6O4S/c1-28-16-5-3-2-4-15(16)23-11-20-22-18(23)29-10-17(25)21-14-7-6-13(24(26)27)8-12(14)9-19/h2-8,11H,10H2,1H3,(H,21,25)