methyl 2-[3-(4-chloranyl-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-chloranyl-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chloro-5-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chloro-5-methylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H23ClN4O2S2 MolecularWeight: 463.01592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=NN1CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN4O2S2/c1-13-16(22)12-24-26(13)11-7-10-23-21(29)25-19-18(20(27)28-3)17(14(2)30-19)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,23,25,29)