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

Systemtic Name: 3-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[3-(4-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[3-(4-chlorophenoxy)-2-hydroxypropyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(COC3=CC=C(C=C3)Cl)O)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(COC3=CC=C(C=C3)Cl)O)C#N

InChI

InChI=1S/C20H21ClN2O2S/c1-13-17-4-2-3-5-18(17)19(10-22)20(23-13)26-12-15(24)11-25-16-8-6-14(21)7-9-16/h6-9,15,24H,2-5,11-12H2,1H3