4-(4-nitrophenyl)sulfanyl-2,3-diphenyl-isoquinolin-1-one

Systemtic Name: 4-(4-nitrophenyl)sulfanyl-2,3-diphenyl-isoquinolin-1-one Openeye Name: 4-(4-nitrophenyl)sulfanyl-2,3-diphenyl-isoquinolin-1-one CAS Name: 4-[(4-nitrophenyl)thio]-2,3-diphenyl-1-isoquinolinone IUPAC Name: 4-(4-nitrophenyl)sulfanyl-2,3-diphenylisoquinolin-1-one Traditional Name: 4-[(4-nitrophenyl)thio]-2,3-diphenyl-isocarbostyril Formula: C27H18N2O3S MolecularWeight: 450.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18N2O3S/c30-27-24-14-8-7-13-23(24)26(33-22-17-15-21(16-18-22)29(31)32)25(19-9-3-1-4-10-19)28(27)20-11-5-2-6-12-20/h1-18H