(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylene]-5-(p-tolylsulfanylmethyl)pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-[[(4-methylphenyl)thio]methyl]-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(2,4-dimethoxybenzylidene)-5-[(p-tolylthio)methyl]-2-pyrazolin-3-one Formula: C27H23N3O3S2 MolecularWeight: 501.61982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=C(C=C(C=C3)OC)OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)SCC\2=NN(C(=O)/C2=C\C3=C(C=C(C=C3)OC)OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H23N3O3S2/c1-17-8-12-20(13-9-17)34-16-23-21(14-18-10-11-19(32-2)15-24(18)33-3)26(31)30(29-23)27-28-22-6-4-5-7-25(22)35-27/h4-15H,16H2,1-3H3/b21-14-