5-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-yl]furan-2-carbonitrile

Systemtic Name: 5-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-yl]furan-2-carbonitrile Openeye Name: 5-[3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-yl]furan-2-carbonitrile CAS Name: 5-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-yl]-2-furancarbonitrile IUPAC Name: 5-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-yl]furan-2-carbonitrile Traditional Name: 5-[3-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-yl]-2-furonitrile Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=C1CCCC2)C3=CC=C(O3)C#N)SCC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(C2=C1CCCC2)C3=CC=C(O3)C#N)SCC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H22N2O3S/c1-15-19-5-3-4-6-20(19)23(22-12-11-18(13-25)29-22)26-24(15)30-14-21(27)16-7-9-17(28-2)10-8-16/h7-12H,3-6,14H2,1-2H3