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

Systemtic Name: 1-[3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonylazepane Openeye Name: 1-[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]phenyl]sulfonylazepane IUPAC Name: 1-[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylphenyl]sulfonylazepane Traditional Name: 1-[3-nitro-4-[(1-phenyltetrazol-5-yl)thio]phenyl]sulfonylazepane Formula: C19H20N6O4S2 MolecularWeight: 460.5299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S2/c26-25(27)17-14-16(31(28,29)23-12-6-1-2-7-13-23)10-11-18(17)30-19-20-21-22-24(19)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2