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

Systemtic Name: methyl 2-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-bromo-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17BrN4O2S2 MolecularWeight: 465.38718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O2S2/c1-25-17(24)14-9-15(12-5-3-2-4-6-12)27-16(14)22-18(26)20-7-8-23-11-13(19)10-21-23/h2-6,9-11H,7-8H2,1H3,(H2,20,22,26)