5-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-3-methylsulfanyl-1H-pyrazole

Systemtic Name: 5-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-3-methylsulfanyl-1H-pyrazole Openeye Name: 5-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-3-methylsulfanyl-1H-pyrazole CAS Name: 5-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-3-(methylthio)-1H-pyrazole IUPAC Name: 5-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-3-methylsulfanyl-1H-pyrazole Traditional Name: 5-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-3-(methylthio)-1H-pyrazole Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2OS/c1-20-16-11-9-14(10-12-16)7-5-3-4-6-8-15-13-17(21-2)19-18-15/h3-13H,1-2H3,(H,18,19)/b4-3+,7-5+,8-6+