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

Systemtic Name: 5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-8-nitro-isoquinoline Openeye Name: 5-(1-methyltetrazol-5-yl)sulfanyl-8-nitro-isoquinoline CAS Name: 5-[(1-methyl-5-tetrazolyl)thio]-8-nitroisoquinoline IUPAC Name: 5-(1-methyltetrazol-5-yl)sulfanyl-8-nitroisoquinoline Traditional Name: 5-[(1-methyltetrazol-5-yl)thio]-8-nitro-isoquinoline Formula: C11H8N6O2S MolecularWeight: 288.28522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H8N6O2S/c1-16-11(13-14-15-16)20-10-3-2-9(17(18)19)8-6-12-5-4-7(8)10/h2-6H,1H3