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

Systemtic Name: 4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NNC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NNC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-10-6-7-14(9-15(10)21(22)23)26(24,25)20-13-5-3-4-12(8-13)16-17-11(2)18-19-16/h3-9,20H,1-2H3,(H,17,18,19)