(2-ethoxyphenyl) N-[(3-chloranyl-4-cyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl]sulfamate

Systemtic Name: (2-ethoxyphenyl) N-[(3-chloranyl-4-cyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl]sulfamate Openeye Name: (2-ethoxyphenyl) N-(3-chloro-4-cyclopropyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamate CAS Name: N-[(3-chloro-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]sulfamic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) N-(3-chloro-4-cyclopropyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamate Traditional Name: N-(3-chloro-4-cyclopropyl-5-keto-1,2,4-triazole-1-carbonyl)sulfamic acid o-phenetyl ester Formula: C14H15ClN4O6S MolecularWeight: 402.8101

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Cl)C3CC3

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Cl)C3CC3

InChI

InChI=1S/C14H15ClN4O6S/c1-2-24-10-5-3-4-6-11(10)25-26(22,23)17-13(20)19-14(21)18(9-7-8-9)12(15)16-19/h3-6,9H,2,7-8H2,1H3,(H,17,20)