4-(3-cyano-1,2,4-triazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3-cyano-1,2,4-triazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(3-cyano-1,2,4-triazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(3-cyano-1,2,4-triazol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3-cyano-1,2,4-triazol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(3-cyano-1,2,4-triazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C13H14N6O4S MolecularWeight: 350.35306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O4S/c1-3-17(4-2)24(22,23)10-5-6-11(12(7-10)19(20)21)18-9-15-13(8-14)16-18/h5-7,9H,3-4H2,1-2H3