1-(4-methoxyphenyl)-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(4-methoxyphenyl)-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(4-methoxyphenyl)-3-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-methoxyphenyl)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(4-methoxyphenyl)-3-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(2-thienyl)ethyl]thio]-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H20N2O2S2 MolecularWeight: 420.5471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC(=O)C4=CC=CS4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC(=O)C4=CC=CS4)C#N

InChI

InChI=1S/C23H20N2O2S2/c1-27-16-10-8-15(9-11-16)22-18-6-3-2-5-17(18)19(13-24)23(25-22)29-14-20(26)21-7-4-12-28-21/h4,7-12H,2-3,5-6,14H2,1H3