[4-(2-chlorophenyl)sulfanyl-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-(2-chlorophenyl)sulfanyl-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-(2-chlorophenyl)sulfanyl-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-[(2-chlorophenyl)thio]-3-nitrophenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-(2-chlorophenyl)sulfanyl-3-nitrophenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-[(2-chlorophenyl)thio]-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O3S/c23-18-7-3-4-8-20(18)29-21-10-9-16(13-19(21)25(27)28)22(26)24-12-11-15-5-1-2-6-17(15)14-24/h1-10,13H,11-12,14H2