5,7-dimethyl-1-(4-methylsulfanylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Systemtic Name: 5,7-dimethyl-1-(4-methylsulfanylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Openeye Name: 5,7-dimethyl-1-(4-methylsulfanylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole CAS Name: 5,7-dimethyl-1-[4-(methylthio)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole IUPAC Name: 5,7-dimethyl-1-(4-methylsulfanylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Traditional Name: 5,7-dimethyl-1-[4-(methylthio)phenyl]-2,3,4,9-tetrahydro-1H-$b-carboline Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C3=C(C(NCC3)C4=CC=C(C=C4)SC)NC2=C1)C

Isomeric SMILES

CC1=CC(=C2C3=C(C(NCC3)C4=CC=C(C=C4)SC)NC2=C1)C

InChI

InChI=1S/C20H22N2S/c1-12-10-13(2)18-16-8-9-21-19(20(16)22-17(18)11-12)14-4-6-15(23-3)7-5-14/h4-7,10-11,19,21-22H,8-9H2,1-3H3