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

Systemtic Name: 8-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]isoquinoline Openeye Name: 8-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]isoquinoline CAS Name: 8-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]isoquinoline IUPAC Name: 8-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]isoquinoline Traditional Name: 8-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]isoquinoline Formula: C17H11N5O2S MolecularWeight: 349.36654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O2S/c23-22(24)14-6-7-15(12-8-9-18-10-13(12)14)25-17-19-16(20-21-17)11-4-2-1-3-5-11/h1-10H,(H,19,20,21)