methyl 2-[[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-chloro-2-methylpyrazole-3-carbonyl)amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H14ClN5O3S2 MolecularWeight: 387.86496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=C(C=NN2C)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=C(C=NN2C)Cl)C(=O)OC

InChI

InChI=1S/C13H14ClN5O3S2/c1-6-4-7(12(21)22-3)11(24-6)16-13(23)18-17-10(20)9-8(14)5-15-19(9)2/h4-5H,1-3H3,(H,17,20)(H2,16,18,23)