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

Systemtic Name: 4-[(Z)-(2-methylindol-3-ylidene)methyl]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-phenyl-5-(p-tolylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 4-[(Z)-(2-methyl-3-indolylidene)methyl]-5-[[(4-methylphenyl)thio]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(Z)-(2-methylindol-3-ylidene)methyl]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-phenyl-5-[(p-tolylthio)methyl]-3-pyrazolin-3-one Formula: C27H23N3OS MolecularWeight: 437.55602

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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)C

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)C

InChI

InChI=1S/C27H23N3OS/c1-18-12-14-21(15-13-18)32-17-26-24(27(31)30(29-26)20-8-4-3-5-9-20)16-23-19(2)28-25-11-7-6-10-22(23)25/h3-16,29H,17H2,1-2H3/b23-16+