S-[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl] 4-methylbenzenecarbothioate Openeye Name: S-[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl] ester IUPAC Name: S-[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl] ester Formula: C24H19ClN2OS MolecularWeight: 418.93846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NC(=C3CCCCC3=C2C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NC(=C3CCCCC3=C2C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClN2OS/c1-15-6-8-17(9-7-15)24(28)29-23-21(14-26)19-4-2-3-5-20(19)22(27-23)16-10-12-18(25)13-11-16/h6-13H,2-5H2,1H3