prop-2-ynyl N-[3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-pyrazol-4-yl]carbonylcarbamate

Systemtic Name: prop-2-ynyl N-[3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-pyrazol-4-yl]carbonylcarbamate Openeye Name: prop-2-ynyl N-[3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-pyrazole-4-carbonyl]carbamate CAS Name: N-[[3-(4-chlorophenyl)-1-methyl-5-(methylthio)-4-pyrazolyl]-oxomethyl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[3-(4-chlorophenyl)-1-methyl-5-methylsulfanylpyrazole-4-carbonyl]carbamate Traditional Name: N-[3-(4-chlorophenyl)-1-methyl-5-(methylthio)pyrazole-4-carbonyl]carbamic acid propargyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C(=O)NC(=O)OCC#C)SC

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C(=O)NC(=O)OCC#C)SC

InChI

InChI=1S/C16H14ClN3O3S/c1-4-9-23-16(22)18-14(21)12-13(19-20(2)15(12)24-3)10-5-7-11(17)8-6-10/h1,5-8H,9H2,2-3H3,(H,18,21,22)