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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H16N6O3S/c18-8-11-7-13(23(25)26)5-6-14(11)19-15(24)9-27-17-21-20-16(10-1-2-10)22(17)12-3-4-12/h5-7,10,12H,1-4,9H2,(H,19,24)