5-[(6-nitro-1H-benzimidazol-5-yl)sulfanyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 5-[(6-nitro-1H-benzimidazol-5-yl)sulfanyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 5-[(6-nitro-1H-benzimidazol-5-yl)sulfanyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: 5-[(6-nitro-1H-benzimidazol-5-yl)thio]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 5-[(6-nitro-1H-benzimidazol-5-yl)sulfanyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: 5-[(6-nitro-1H-benzimidazol-5-yl)thio]-1,2,3,4-tetrahydroisoquinoline Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C(=CC=C2)SC3=C(C=C4C(=C3)N=CN4)[N+](=O)[O-]

Isomeric SMILES

C1CNCC2=C1C(=CC=C2)SC3=C(C=C4C(=C3)N=CN4)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c21-20(22)14-6-12-13(19-9-18-12)7-16(14)23-15-3-1-2-10-8-17-5-4-11(10)15/h1-3,6-7,9,17H,4-5,8H2,(H,18,19)