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

Systemtic Name: N,N-diethyl-3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]benzenesulfonamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN(C=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN(C=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S2/c1-3-21(4-2)29(26,27)15-10-11-17(16(12-15)23(24)25)28-18-19-13-22(20-18)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3