3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide CAS Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S2/c1-11(2)21-28(25,26)13-8-9-15(14(10-13)22(23)24)27-17-18-16(19-20-17)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,18,19,20)