4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-(phenylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H22N2OS MolecularWeight: 386.50928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H22N2OS/c1-27-19-13-11-18(12-14-19)23-20-9-5-6-10-22(20)26-24(21(23)15-25)28-16-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,16H2,1H3