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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetamide Formula: C16H15N6O3S+ MolecularWeight: 371.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=[N+](NN=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=[N+](NN=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N6O3S/c1-11-7-8-13(22(24)25)9-14(11)17-15(23)10-26-16-18-19-20-21(16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,23)/p+1