[2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-keto-ethyl] ester Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CSC#N)(C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CSC#N)(C)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2OS/c1-20(2)13-21(3,15-8-10-16(22)11-9-15)17-6-4-5-7-18(17)24(20)19(25)12-26-14-23/h4-11H,12-13H2,1-3H3