methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-3-pyridyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridin-3-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-3-pyridyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H12ClN3O2S2 MolecularWeight: 341.83628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(N=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(N=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C13H12ClN3O2S2/c1-7-6-8(12(18)19-2)11(21-7)17-13(20)16-9-4-3-5-15-10(9)14/h3-6H,1-2H3,(H2,16,17,20)