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

Systemtic Name: methyl 2-[3-(4-bromanylpyrazol-1-yl)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-bromo-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromopyrazol-1-yl)propylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromopyrazol-1-yl)propylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H19BrN4O2S2 MolecularWeight: 431.37096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)Br)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)Br)C(=O)OC

InChI

InChI=1S/C15H19BrN4O2S2/c1-3-11-7-12(14(21)22-2)13(24-11)19-15(23)17-5-4-6-20-9-10(16)8-18-20/h7-9H,3-6H2,1-2H3,(H2,17,19,23)