N-tert-butyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S2/c1-20(2,3)23-31(28,29)15-10-11-17(16(13-15)25(26)27)30-19-22-21-18(24(19)4)12-14-8-6-5-7-9-14/h5-11,13,23H,12H2,1-4H3