1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)-2-(1H-1,2,4-triazol-4-ium-5-ylsulfanyl)ethanone

Systemtic Name: 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)-2-(1H-1,2,4-triazol-4-ium-5-ylsulfanyl)ethanone Openeye Name: 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)-2-(1H-1,2,4-triazol-4-ium-5-ylsulfanyl)ethanone CAS Name: 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)-2-(1H-1,2,4-triazol-4-ium-5-ylthio)ethanone IUPAC Name: 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)-2-(1H-1,2,4-triazol-4-ium-5-ylsulfanyl)ethanone Traditional Name: 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)-2-(1H-1,2,4-triazol-4-ium-5-ylthio)ethanone Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(CC2(C)C3=CC=CC=C3)(C)C)C(=O)CSC4=[NH+]C=NN4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(CC2(C)C3=CC=CC=C3)(C)C)C(=O)CSC4=[NH+]C=NN4

InChI

InChI=1S/C23H26N4OS/c1-16-10-11-19-18(12-16)23(4,17-8-6-5-7-9-17)14-22(2,3)27(19)20(28)13-29-21-24-15-25-26-21/h5-12,15H,13-14H2,1-4H3,(H,24,25,26)/p+1