3-bromanyl-4-cyclopropyl-N-(2-methylphenyl)sulfonyl-5-oxidanylidene-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-bromanyl-4-cyclopropyl-N-(2-methylphenyl)sulfonyl-5-oxidanylidene-1,2,4-triazole-1-carboxamide Openeye Name: 3-bromo-4-cyclopropyl-N-(o-tolylsulfonyl)-5-oxo-1,2,4-triazole-1-carboxamide CAS Name: 3-bromo-4-cyclopropyl-N-(2-methylphenyl)sulfonyl-5-oxo-1,2,4-triazole-1-carboxamide IUPAC Name: 3-bromo-4-cyclopropyl-N-(2-methylphenyl)sulfonyl-5-oxo-1,2,4-triazole-1-carboxamide Traditional Name: 3-bromo-4-cyclopropyl-5-keto-N-(o-tolylsulfonyl)-1,2,4-triazole-1-carboxamide Formula: C13H13BrN4O4S MolecularWeight: 401.23572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Br)C3CC3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Br)C3CC3

InChI

InChI=1S/C13H13BrN4O4S/c1-8-4-2-3-5-10(8)23(21,22)16-12(19)18-13(20)17(9-6-7-9)11(14)15-18/h2-5,9H,6-7H2,1H3,(H,16,19)