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

Systemtic Name: methyl 2-[3-(4-bromanylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-bromo-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromopyrazol-1-yl)propylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H17BrN4O2S2 MolecularWeight: 417.34438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)Br)C(=O)OC

InChI

InChI=1S/C14H17BrN4O2S2/c1-9-6-11(13(20)21-2)12(23-9)18-14(22)16-4-3-5-19-8-10(15)7-17-19/h6-8H,3-5H2,1-2H3,(H2,16,18,22)