1-(4-methyl-3-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3S/c1-11-7-8-12(9-14(11)21(23)24)15(22)10-25-16-17-18-19-20(16)13-5-3-2-4-6-13/h2-9H,10H2,1H3