1-methyl-3-[3-(4-methylphenyl)sulfanyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-[3-(4-methylphenyl)sulfanyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-hydroxy-3-(p-tolylsulfanyl)propyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-hydroxy-3-[(4-methylphenyl)thio]propyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-hydroxy-3-(4-methylphenyl)sulfanylpropyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-hydroxy-3-(p-tolylthio)propyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CSC2=NC(=C3CCCCC3=C2C#N)C)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CSC2=NC(=C3CCCCC3=C2C#N)C)O

InChI

InChI=1S/C21H24N2OS2/c1-14-7-9-17(10-8-14)25-12-16(24)13-26-21-20(11-22)19-6-4-3-5-18(19)15(2)23-21/h7-10,16,24H,3-6,12-13H2,1-2H3