3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: 3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide CAS Name: 3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: 3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: 3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]benzenesulfonamide Formula: C14H11N5O4S2 MolecularWeight: 377.39824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O4S2/c15-25(22,23)11-6-7-13(12(8-11)19(20)21)24-14-16-9-18(17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,22,23)