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

Systemtic Name: 5-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-8-nitro-isoquinoline Openeye Name: 5-[1-(m-tolyl)tetrazol-5-yl]sulfanyl-8-nitro-isoquinoline CAS Name: 5-[[1-(3-methylphenyl)-5-tetrazolyl]thio]-8-nitroisoquinoline IUPAC Name: 5-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-8-nitroisoquinoline Traditional Name: 5-[[1-(m-tolyl)tetrazol-5-yl]thio]-8-nitro-isoquinoline Formula: C17H12N6O2S MolecularWeight: 364.38118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O2S/c1-11-3-2-4-12(9-11)22-17(19-20-21-22)26-16-6-5-15(23(24)25)14-10-18-8-7-13(14)16/h2-10H,1H3