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

Systemtic Name: 1-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(1-methyl-5-tetrazolyl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1-methyltetrazol-5-yl)thio]-3-nitro-phenyl]ethanone Formula: C10H9N5O3S MolecularWeight: 279.27516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O3S/c1-6(16)7-3-4-9(8(5-7)15(17)18)19-10-11-12-13-14(10)2/h3-5H,1-2H3