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

Systemtic Name: 8-nitro-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]isoquinoline Openeye Name: 8-nitro-5-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]isoquinoline CAS Name: 8-nitro-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]isoquinoline IUPAC Name: 8-nitro-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]isoquinoline Traditional Name: 8-nitro-5-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]isoquinoline Formula: C16H10N6O2S MolecularWeight: 350.3546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])SC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])SC3=NNC(=N3)C4=CC=NC=C4

InChI

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