methyl 2-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[1-(2,4-dichlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18Cl2N4O2S2 MolecularWeight: 469.40782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C19H18Cl2N4O2S2/c1-3-13-9-14(18(26)27-2)17(29-13)23-19(28)22-16-6-7-25(24-16)10-11-4-5-12(20)8-15(11)21/h4-9H,3,10H2,1-2H3,(H2,22,23,24,28)