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

Systemtic Name: 8-nitro-5-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]isoquinoline Openeye Name: 8-nitro-5-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]isoquinoline CAS Name: 8-nitro-5-[[5-[(2R)-2-oxolanyl]-1H-1,2,4-triazol-3-yl]thio]isoquinoline IUPAC Name: 8-nitro-5-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]isoquinoline Traditional Name: 8-nitro-5-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]thio]isoquinoline Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=NC(=NN2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C2=NC(=NN2)SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3S/c21-20(22)11-3-4-13(9-5-6-16-8-10(9)11)24-15-17-14(18-19-15)12-2-1-7-23-12/h3-6,8,12H,1-2,7H2,(H,17,18,19)/t12-/m1/s1