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

Systemtic Name: methyl 2-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chloro-3-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chloro-3-methylpyrazol-1-yl)propylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylthiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H21ClN4O2S2 MolecularWeight: 400.94654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=C(C(=N2)C)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=C(C(=N2)C)Cl)C

InChI

InChI=1S/C16H21ClN4O2S2/c1-9-11(3)25-14(13(9)15(22)23-4)19-16(24)18-6-5-7-21-8-12(17)10(2)20-21/h8H,5-7H2,1-4H3,(H2,18,19,24)