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

Systemtic Name: 8-nitro-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]isoquinoline Openeye Name: 8-nitro-5-(1-phenyltetrazol-5-yl)sulfanyl-isoquinoline CAS Name: 8-nitro-5-[(1-phenyl-5-tetrazolyl)thio]isoquinoline IUPAC Name: 8-nitro-5-(1-phenyltetrazol-5-yl)sulfanylisoquinoline Traditional Name: 8-nitro-5-[(1-phenyltetrazol-5-yl)thio]isoquinoline Formula: C16H10N6O2S MolecularWeight: 350.3546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N6O2S/c23-22(24)14-6-7-15(12-8-9-17-10-13(12)14)25-16-18-19-20-21(16)11-4-2-1-3-5-11/h1-10H