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

Systemtic Name: 1-[3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]ethanone CAS Name: 1-[3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylphenyl]ethanone Traditional Name: 1-[3-nitro-4-[(1-phenyltetrazol-5-yl)thio]phenyl]ethanone Formula: C15H11N5O3S MolecularWeight: 341.34454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O3S/c1-10(21)11-7-8-14(13(9-11)20(22)23)24-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-9H,1H3