N3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzene-1,3-disulfonamide CAS Name: N3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzene-1,3-disulfonamide Formula: C15H15N5O4S3 MolecularWeight: 425.5057

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C15H15N5O4S3/c1-20-10-17-18-15(20)25-12-7-5-11(6-8-12)19-27(23,24)14-4-2-3-13(9-14)26(16,21)22/h2-10,19H,1H3,(H2,16,21,22)