2-[[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-phenyl-methyl]propanedinitrile

Systemtic Name: 2-[[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-phenyl-methyl]propanedinitrile Openeye Name: 2-[[3-oxo-5-phenyl-2-[4-(p-tolyl)thiazol-2-yl]-1H-pyrazol-4-yl]-phenyl-methyl]propanedinitrile CAS Name: 2-[[2-[4-(4-methylphenyl)-2-thiazolyl]-3-oxo-5-phenyl-1H-pyrazol-4-yl]-phenylmethyl]propanedinitrile IUPAC Name: 2-[[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-5-phenyl-1H-pyrazol-4-yl]-phenylmethyl]propanedinitrile Traditional Name: 2-[[5-keto-3-phenyl-1-[4-(p-tolyl)thiazol-2-yl]-3-pyrazolin-4-yl]-phenyl-methyl]malononitrile Formula: C29H21N5OS MolecularWeight: 487.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=CC=C4)C(C5=CC=CC=C5)C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=CC=C4)C(C5=CC=CC=C5)C(C#N)C#N

InChI

InChI=1S/C29H21N5OS/c1-19-12-14-20(15-13-19)24-18-36-29(32-24)34-28(35)26(27(33-34)22-10-6-3-7-11-22)25(23(16-30)17-31)21-8-4-2-5-9-21/h2-15,18,23,25,33H,1H3