1-(4-methylsulfanylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Systemtic Name: 1-(4-methylsulfanylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Openeye Name: 6-benzyloxy-1-(4-methylsulfanylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole CAS Name: 1-[4-(methylthio)phenyl]-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole IUPAC Name: 1-(4-methylsulfanylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Traditional Name: 6-benzoxy-1-[4-(methylthio)phenyl]-2,3,4,9-tetrahydro-1H-$b-carboline Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H24N2OS/c1-29-20-10-7-18(8-11-20)24-25-21(13-14-26-24)22-15-19(9-12-23(22)27-25)28-16-17-5-3-2-4-6-17/h2-12,15,24,26-27H,13-14,16H2,1H3