4-(2-ethenylbut-2-enylidene)-5-methyl-2-(4-sulfanylphenyl)pyrazol-3-one

Systemtic Name: 4-(2-ethenylbut-2-enylidene)-5-methyl-2-(4-sulfanylphenyl)pyrazol-3-one Openeye Name: 5-methyl-2-(4-sulfanylphenyl)-4-(2-vinylbut-2-enylidene)pyrazol-3-one CAS Name: 4-(2-ethenylbut-2-enylidene)-2-(4-mercaptophenyl)-5-methyl-3-pyrazolone IUPAC Name: 4-(2-ethenylbut-2-enylidene)-5-methyl-2-(4-sulfanylphenyl)pyrazol-3-one Traditional Name: 2-(4-mercaptophenyl)-5-methyl-4-(2-vinylbut-2-enylidene)-2-pyrazolin-3-one Formula: C16H16N2OS MolecularWeight: 284.37604

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C=C)C=C1C(=NN(C1=O)C2=CC=C(C=C2)S)C

Isomeric SMILES

CC=C(C=C)C=C1C(=NN(C1=O)C2=CC=C(C=C2)S)C

InChI

InChI=1S/C16H16N2OS/c1-4-12(5-2)10-15-11(3)17-18(16(15)19)13-6-8-14(20)9-7-13/h4-10,20H,1H2,2-3H3