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

Systemtic Name: dimethyl 5-[3-(4-chloranyl-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(4-chloro-5-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-chloro-5-methylpyrazol-1-yl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H21ClN4O4S2 MolecularWeight: 444.95604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O4S2/c1-9-12(15(23)25-3)14(28-13(9)16(24)26-4)21-17(27)19-6-5-7-22-10(2)11(18)8-20-22/h8H,5-7H2,1-4H3,(H2,19,21,27)