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

Systemtic Name: ethyl 2-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-bromo-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21BrN4O2S2 MolecularWeight: 493.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCN3C=C(C=N3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCN3C=C(C=N3)Br

InChI

InChI=1S/C20H21BrN4O2S2/c1-3-27-19(26)17-16(14-7-5-4-6-8-14)13(2)29-18(17)24-20(28)22-9-10-25-12-15(21)11-23-25/h4-8,11-12H,3,9-10H2,1-2H3,(H2,22,24,28)