N-(2,3-dimethyl-6-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C17H16N6O3S/c1-11-8-9-14(23(25)26)16(12(11)2)18-15(24)10-27-17-19-20-21-22(17)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,24)