N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: 3-keto-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4H-1,4-benzoxazine-6-sulfonamide Formula: C17H15N5O4S2 MolecularWeight: 417.4621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C17H15N5O4S2/c1-22-10-18-20-17(22)27-12-4-2-11(3-5-12)21-28(24,25)13-6-7-15-14(8-13)19-16(23)9-26-15/h2-8,10,21H,9H2,1H3,(H,19,23)