methyl 4-[1-(4-chlorophenyl)carbonylpyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[1-(4-chlorophenyl)carbonylpyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[1-(4-chlorobenzoyl)pyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[1-[(4-chlorophenyl)-oxomethyl]-3-pyrazolyl]-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[1-(4-chlorobenzoyl)pyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[1-(4-chlorobenzoyl)pyrazol-3-yl]-3-methyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NN(C=C2)C(=O)C3=CC=C(C=C3)Cl)SC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C2=NN(C=C2)C(=O)C3=CC=C(C=C3)Cl)SC)C(=O)OC

InChI

InChI=1S/C18H15ClN2O3S2/c1-10-14(18(25-3)26-15(10)17(23)24-2)13-8-9-21(20-13)16(22)11-4-6-12(19)7-5-11/h4-9H,1-3H3