4-[(Z)-indol-3-ylidenemethyl]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(Z)-indol-3-ylidenemethyl]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(Z)-indol-3-ylidenemethyl]-2-phenyl-5-(p-tolylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 4-[(Z)-3-indolylidenemethyl]-5-[[(4-methylphenyl)thio]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(Z)-indol-3-ylidenemethyl]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(Z)-indol-3-ylidenemethyl]-2-phenyl-5-[(p-tolylthio)methyl]-3-pyrazolin-3-one Formula: C26H21N3OS MolecularWeight: 423.52944

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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=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C(=O)N(N2)C3=CC=CC=C3)/C=C/4\C=NC5=CC=CC=C54

InChI

InChI=1S/C26H21N3OS/c1-18-11-13-21(14-12-18)31-17-25-23(15-19-16-27-24-10-6-5-9-22(19)24)26(30)29(28-25)20-7-3-2-4-8-20/h2-16,28H,17H2,1H3/b19-15+