3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C27H23ClN2O2S MolecularWeight: 475.00172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H23ClN2O2S/c28-22-10-12-23(13-11-22)33-25-24(29-16-15-20-8-4-5-9-21(20)18-29)26(31)30(27(25)32)17-14-19-6-2-1-3-7-19/h1-13H,14-18H2