[(4-methyl-5-oxidanylidene-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)carbonylamino] 2-methoxy-6-methyl-benzenesulfinate

Systemtic Name: [(4-methyl-5-oxidanylidene-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)carbonylamino] 2-methoxy-6-methyl-benzenesulfinate Openeye Name: [(4-methyl-5-oxo-3-prop-2-ynylsulfanyl-1,2,4-triazole-1-carbonyl)amino] 2-methoxy-6-methyl-benzenesulfinate CAS Name: 2-methoxy-6-methylbenzenesulfinic acid [[[4-methyl-5-oxo-3-(prop-2-ynylthio)-1,2,4-triazol-1-yl]-oxomethyl]amino] ester IUPAC Name: [(4-methyl-5-oxo-3-prop-2-ynylsulfanyl-1,2,4-triazole-1-carbonyl)amino] 2-methoxy-6-methylbenzenesulfinate Traditional Name: 2-methoxy-6-methyl-benzenesulfinic acid [[5-keto-4-methyl-3-(propargylthio)-1,2,4-triazole-1-carbonyl]amino] ester Formula: C15H16N4O5S2 MolecularWeight: 396.44134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC)S(=O)ONC(=O)N2C(=O)N(C(=N2)SCC#C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC)S(=O)ONC(=O)N2C(=O)N(C(=N2)SCC#C)C

InChI

InChI=1S/C15H16N4O5S2/c1-5-9-25-14-16-19(15(21)18(14)3)13(20)17-24-26(22)12-10(2)7-6-8-11(12)23-4/h1,6-8H,9H2,2-4H3,(H,17,20)