ethyl 4-methyl-3-[(4-methyl-5-oxidanylidene-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)carbonylsulfamoyl]thiophene-2-carboxylate

Systemtic Name: ethyl 4-methyl-3-[(4-methyl-5-oxidanylidene-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)carbonylsulfamoyl]thiophene-2-carboxylate Openeye Name: ethyl 4-methyl-3-[(4-methyl-5-oxo-3-prop-2-ynylsulfanyl-1,2,4-triazole-1-carbonyl)sulfamoyl]thiophene-2-carboxylate CAS Name: 4-methyl-3-[[[4-methyl-5-oxo-3-(prop-2-ynylthio)-1,2,4-triazol-1-yl]-oxomethyl]sulfamoyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[(4-methyl-5-oxo-3-prop-2-ynylsulfanyl-1,2,4-triazole-1-carbonyl)sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[5-keto-4-methyl-3-(propargylthio)-1,2,4-triazole-1-carbonyl]sulfamoyl]-4-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C15H16N4O6S3 MolecularWeight: 444.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CS1)C)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)SCC#C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CS1)C)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)SCC#C)C

InChI

InChI=1S/C15H16N4O6S3/c1-5-7-26-14-16-19(15(22)18(14)4)13(21)17-28(23,24)11-9(3)8-27-10(11)12(20)25-6-2/h1,8H,6-7H2,2-4H3,(H,17,21)