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

Systemtic Name: [2-oxidanylidene-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl] thiocyanate Openeye Name: [2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl] thiocyanate CAS Name: thiocyanic acid [2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl] thiocyanate Traditional Name: thiocyanic acid [2-keto-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl] ester Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-20(2)14-21(3,16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(20)19(24)13-25-15-22/h4-12H,13-14H2,1-3H3