ethyl 2-[2-(4-chloranylpyrazol-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O2S2/c1-2-26-18(25)15-10-16(13-6-4-3-5-7-13)28-17(15)23-19(27)21-8-9-24-12-14(20)11-22-24/h3-7,10-12H,2,8-9H2,1H3,(H2,21,23,27)