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

Systemtic Name: [3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylphenyl]-phenylmethanone Traditional Name: [3-nitro-4-[(1-phenyltetrazol-5-yl)thio]phenyl]-phenyl-methanone Formula: C20H13N5O3S MolecularWeight: 403.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O3S/c26-19(14-7-3-1-4-8-14)15-11-12-18(17(13-15)25(27)28)29-20-21-22-23-24(20)16-9-5-2-6-10-16/h1-13H