4-(4-nitrophenyl)sulfanyl-3-phenyl-isoquinoline

Systemtic Name: 4-(4-nitrophenyl)sulfanyl-3-phenyl-isoquinoline Openeye Name: 4-(4-nitrophenyl)sulfanyl-3-phenyl-isoquinoline CAS Name: 4-[(4-nitrophenyl)thio]-3-phenylisoquinoline IUPAC Name: 4-(4-nitrophenyl)sulfanyl-3-phenylisoquinoline Traditional Name: 4-[(4-nitrophenyl)thio]-3-phenyl-isoquinoline Formula: C21H14N2O2S MolecularWeight: 358.41306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O2S/c24-23(25)17-10-12-18(13-11-17)26-21-19-9-5-4-8-16(19)14-22-20(21)15-6-2-1-3-7-15/h1-14H