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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-12-5-7-13(8-6-12)10-20-11-17-16(18-20)19-26(24,25)15-4-2-3-14(9-15)21(22)23/h2-9,11H,10H2,1H3,(H,18,19)