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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)(C)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)(C)C5=CC=CC=C5)C

InChI

InChI=1S/C28H28N4OS/c1-27(2)19-28(3,21-14-8-5-9-15-21)22-16-10-11-17-23(22)32(27)24(33)18-34-26-29-25(30-31-26)20-12-6-4-7-13-20/h4-17H,18-19H2,1-3H3,(H,29,30,31)