N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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