[(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)carbonylamino] 4-bromanyl-2-methyl-thiophene-3-sulfinate

Systemtic Name: [(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)carbonylamino] 4-bromanyl-2-methyl-thiophene-3-sulfinate Openeye Name: [(3-ethoxy-4-methyl-5-thioxo-1,2,4-triazole-1-carbonyl)amino] 4-bromo-2-methyl-thiophene-3-sulfinate CAS Name: 4-bromo-2-methyl-3-thiophenesulfinic acid [[(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)-oxomethyl]amino] ester IUPAC Name: [(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazole-1-carbonyl)amino] 4-bromo-2-methylthiophene-3-sulfinate Traditional Name: 4-bromo-2-methyl-thiophene-3-sulfinic acid [(3-ethoxy-4-methyl-5-thioxo-1,2,4-triazole-1-carbonyl)amino] ester Formula: C11H13BrN4O4S3 MolecularWeight: 441.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=S)N1C)C(=O)NOS(=O)C2=C(SC=C2Br)C

Isomeric SMILES

CCOC1=NN(C(=S)N1C)C(=O)NOS(=O)C2=C(SC=C2Br)C

InChI

InChI=1S/C11H13BrN4O4S3/c1-4-19-10-13-16(11(21)15(10)3)9(17)14-20-23(18)8-6(2)22-5-7(8)12/h5H,4H2,1-3H3,(H,14,17)