methyl 2-[2-(4-chloranylpyrazol-1-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranylpyrazol-1-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(4-chloro-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(4-chloropyrazol-1-yl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H19ClN4O2S2 MolecularWeight: 434.96276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCN3C=C(C=N3)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCN3C=C(C=N3)Cl

InChI

InChI=1S/C19H19ClN4O2S2/c1-26-18(25)16-10-15(9-13-5-3-2-4-6-13)28-17(16)23-19(27)21-7-8-24-12-14(20)11-22-24/h2-6,10-12H,7-9H2,1H3,(H2,21,23,27)