methyl 5-[(3,4-dichlorophenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(3,4-dichlorophenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(3,4-dichlorophenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(3,4-dichlorophenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(3,4-dichlorophenyl)thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C12H10Cl2N4O2S MolecularWeight: 345.2044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(NN=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H10Cl2N4O2S/c1-20-11(19)7-5-15-18-10(7)17-12(21)16-6-2-3-8(13)9(14)4-6/h2-5H,1H3,(H3,15,16,17,18,21)