2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Openeye Name: 2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone CAS Name: 2-[(1-methyl-1,2,4-triazol-3-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone IUPAC Name: 2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Traditional Name: 2-[(1-methyl-1,2,4-triazol-3-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN(C=N3)C)(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN(C=N3)C)(C)C4=CC=CC=C4)C

InChI

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