6-tert-butyl-2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H26N4OS MolecularWeight: 418.55444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NC4=C(CC(CC4)C(C)(C)C)C=C3C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NC4=C(CC(CC4)C(C)(C)C)C=C3C#N

InChI

InChI=1S/C24H26N4OS/c1-15-21(23(29)28(27-15)19-8-6-5-7-9-19)30-22-17(14-25)12-16-13-18(24(2,3)4)10-11-20(16)26-22/h5-9,12,18,27H,10-11,13H2,1-4H3