5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-3-methylsulfanyl-1H-pyrazole

Systemtic Name: 5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-3-methylsulfanyl-1H-pyrazole Openeye Name: 5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-3-methylsulfanyl-1H-pyrazole CAS Name: 5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-3-(methylthio)-1H-pyrazole IUPAC Name: 5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-3-methylsulfanyl-1H-pyrazole Traditional Name: 5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-3-(methylthio)-1H-pyrazole Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2OS/c1-18-14-9-7-12(8-10-14)5-3-4-6-13-11-15(19-2)17-16-13/h3-11H,1-2H3,(H,16,17)/b5-3+,6-4+