5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-methylsulfanyl-1H-pyrazole

Systemtic Name: 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-methylsulfanyl-1H-pyrazole Openeye Name: 5-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-3-methylsulfanyl-1H-pyrazole CAS Name: 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(methylthio)-1H-pyrazole IUPAC Name: 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-methylsulfanyl-1H-pyrazole Traditional Name: 5-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-3-(methylthio)-1H-pyrazole Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC(=NN2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC(=NN2)SC)OC

InChI

InChI=1S/C14H16N2O2S/c1-17-12-7-5-10(8-13(12)18-2)4-6-11-9-14(19-3)16-15-11/h4-9H,1-3H3,(H,15,16)/b6-4+