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

Systemtic Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-oxidanylidene-chromene-6-sulfonamide Openeye Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-oxo-chromene-6-sulfonamide CAS Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-2-oxo-1-benzopyran-6-sulfonamide IUPAC Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-oxochromene-6-sulfonamide Traditional Name: 2-keto-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]chromene-6-sulfonamide Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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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)OC(=O)C=C4

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C18H14N4O4S2/c1-22-11-19-20-18(22)27-14-5-3-13(4-6-14)21-28(24,25)15-7-8-16-12(10-15)2-9-17(23)26-16/h2-11,21H,1H3