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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H16N6O3S/c1-2-12-3-5-13(6-4-12)18-22-19(24-23-18)29-11-17(26)21-16-8-7-15(25(27)28)9-14(16)10-20/h3-9H,2,11H2,1H3,(H,21,26)(H,22,23,24)