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

Systemtic Name: 2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)thio]-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)thio]-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

InChI

InChI=1S/C26H22N4OS/c1-17-24(26(31)30(29-17)22-10-6-3-7-11-22)32-25-21(16-27)15-20-14-19(12-13-23(20)28-25)18-8-4-2-5-9-18/h2-11,15,19,29H,12-14H2,1H3