diethyl (Z)-2-(5-methyl-2-phenyl-pyrazol-3-yl)sulfanylbut-2-enedioate

Systemtic Name: diethyl (Z)-2-(5-methyl-2-phenyl-pyrazol-3-yl)sulfanylbut-2-enedioate Openeye Name: diethyl (Z)-2-(5-methyl-2-phenyl-pyrazol-3-yl)sulfanylbut-2-enedioate CAS Name: (Z)-2-[(5-methyl-2-phenyl-3-pyrazolyl)thio]-2-butenedioic acid diethyl ester IUPAC Name: diethyl (Z)-2-(5-methyl-2-phenylpyrazol-3-yl)sulfanylbut-2-enedioate Traditional Name: (Z)-2-[(5-methyl-2-phenyl-pyrazol-3-yl)thio]but-2-enedioic acid diethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)SC1=CC(=NN1C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)/C=C(/C(=O)OCC)\SC1=CC(=NN1C2=CC=CC=C2)C

InChI

InChI=1S/C18H20N2O4S/c1-4-23-17(21)12-15(18(22)24-5-2)25-16-11-13(3)19-20(16)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3/b15-12-