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

Systemtic Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2,4-dichlorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(2,4-dichlorobenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H16Cl2N4O2S2 MolecularWeight: 455.38124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C18H16Cl2N4O2S2/c1-10-5-14(17(25)26-2)16(28-10)23-18(27)22-13-7-21-24(9-13)8-11-3-4-12(19)6-15(11)20/h3-7,9H,8H2,1-2H3,(H2,22,23,27)