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

Systemtic Name: 1-[4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(1-cyclopropyl-5-tetrazolyl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1-cyclopropyltetrazol-5-yl)thio]-3-nitro-phenyl]ethanone Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O3S/c1-7(18)8-2-5-11(10(6-8)17(19)20)21-12-13-14-15-16(12)9-3-4-9/h2,5-6,9H,3-4H2,1H3