methyl 6-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[2-(4-bromo-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[2-(4-bromopyrazol-1-yl)ethylthiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H14BrClN4O2S2 MolecularWeight: 473.79496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCN3C=C(C=N3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCN3C=C(C=N3)Br)Cl

InChI

InChI=1S/C16H14BrClN4O2S2/c1-24-15(23)14-13(18)11-3-2-10(6-12(11)26-14)21-16(25)19-4-5-22-8-9(17)7-20-22/h2-3,6-8H,4-5H2,1H3,(H2,19,21,25)