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

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenesulfonamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzenesulfonamide Traditional Name: 2-nitro-N-(5-p-anisyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S2/c1-25-12-8-6-11(7-9-12)10-15-17-18-16(26-15)19-27(23,24)14-5-3-2-4-13(14)20(21)22/h2-9H,10H2,1H3,(H,18,19)