6-tert-butyl-4-(3-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-4-(3-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-4-(3-methoxyphenyl)-2-(2-thienylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-4-(3-methoxyphenyl)-2-(thiophen-2-ylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-4-(3-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-4-(3-methoxyphenyl)-2-(2-thenylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H28N2OS2 MolecularWeight: 448.64332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CS3)C#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CS3)C#N)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H28N2OS2/c1-26(2,3)18-10-11-23-21(14-18)24(17-7-5-8-19(13-17)29-4)22(15-27)25(28-23)31-16-20-9-6-12-30-20/h5-9,12-13,18H,10-11,14,16H2,1-4H3