(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(2-thienylmethylene)pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(thiophen-2-ylmethylidene)-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(2-thenylidene)-2-pyrazolin-3-one Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CS3)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/C(=N2)C)C

InChI

InChI=1S/C17H16N2OS/c1-11-6-7-14(9-12(11)2)19-17(20)16(13(3)18-19)10-15-5-4-8-21-15/h4-10H,1-3H3/b16-10+