phenyl N-[(3-ethyl-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl]sulfamate

Systemtic Name: phenyl N-[(3-ethyl-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl]sulfamate Openeye Name: phenyl N-(3-ethyl-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamate CAS Name: N-[(3-ethyl-4-methyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-(3-ethyl-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamate Traditional Name: N-(3-ethyl-5-keto-4-methyl-1,2,4-triazole-1-carbonyl)sulfamic acid phenyl ester Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O5S/c1-3-10-13-16(12(18)15(10)2)11(17)14-22(19,20)21-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,14,17)