methyl 2-[[4-[(2,4-dichlorophenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[(2,4-dichlorophenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(2,4-dichlorophenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2,4-dichlorophenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(2,4-dichlorophenyl)thiocarbamoylamino]pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C19H16Cl2N4O2S MolecularWeight: 435.32694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N4O2S/c1-27-18(26)15-5-3-2-4-12(15)10-25-11-14(9-22-25)23-19(28)24-17-7-6-13(20)8-16(17)21/h2-9,11H,10H2,1H3,(H2,23,24,28)