5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-pyrazol-3-one Openeye Name: 2-phenyl-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-5-(p-tolylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 5-[[(4-methylphenyl)thio]methyl]-2-phenyl-4-[(E)-(3-phenyl-4-pyrazolylidene)methyl]-1H-pyrazol-3-one IUPAC Name: 5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-pyrazol-3-one Traditional Name: 2-phenyl-4-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-5-[(p-tolylthio)methyl]-3-pyrazolin-3-one Formula: C27H22N4OS MolecularWeight: 450.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C(=O)N(N2)C3=CC=CC=C3)C=C4C=NN=C4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C(=O)N(N2)C3=CC=CC=C3)/C=C/4\C=NN=C4C5=CC=CC=C5

InChI

InChI=1S/C27H22N4OS/c1-19-12-14-23(15-13-19)33-18-25-24(27(32)31(30-25)22-10-6-3-7-11-22)16-21-17-28-29-26(21)20-8-4-2-5-9-20/h2-17,30H,18H2,1H3/b21-16+