9-chloranyl-7,8-dimethoxy-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 9-chloranyl-7,8-dimethoxy-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 9-chloro-7,8-dimethoxy-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 9-chloro-7,8-dimethoxy-3-methyl-5-[4-(methylthio)phenyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 9-chloro-7,8-dimethoxy-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 9-chloro-7,8-dimethoxy-3-methyl-5-[4-(methylthio)phenyl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C20H24ClNO2S MolecularWeight: 377.92806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)SC)OC)OC)Cl

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)SC)OC)OC)Cl

InChI

InChI=1S/C20H24ClNO2S/c1-22-10-9-15-16(11-18(23-2)20(24-3)19(15)21)17(12-22)13-5-7-14(25-4)8-6-13/h5-8,11,17H,9-10,12H2,1-4H3