N-(4-ethoxy-2-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4S/c1-2-27-13-8-9-14(15(10-13)23(25)26)18-16(24)11-28-17-19-20-21-22(17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,24)