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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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