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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H14N6O3S2 MolecularWeight: 462.50426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CS4

InChI

InChI=1S/C21H14N6O3S2/c22-12-14-11-16(27(29)30)8-9-17(14)23-19(28)13-32-21-25-24-20(18-7-4-10-31-18)26(21)15-5-2-1-3-6-15/h1-11H,13H2,(H,23,28)