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

Systemtic Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-3-21-11-18-19-17(21)13-5-4-6-14(9-13)20-27(25,26)15-8-7-12(2)16(10-15)22(23)24/h4-11,20H,3H2,1-2H3