2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NC=NN3)(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NC=NN3)(C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N4OS/c1-21(2)14-22(3,16-9-5-4-6-10-16)17-11-7-8-12-18(17)26(21)19(27)13-28-20-23-15-24-25-20/h4-12,15H,13-14H2,1-3H3,(H,23,24,25)