N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-5-methyl-1,2,4-triazol-4-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-nitro-benzenesulfonamide Formula: C14H15N7O4S MolecularWeight: 377.3784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C14H15N7O4S/c1-9-8-10(2)19(17-9)14-16-15-11(3)20(14)18-26(24,25)13-6-4-12(5-7-13)21(22)23/h4-8,18H,1-3H3