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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide Formula: C17H17N5O5S3 MolecularWeight: 467.54238

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S3/c1-18-30(25,26)13-7-8-15(14(9-13)22(23)24)28-17-21-20-16(29-17)19-10-11-3-5-12(27-2)6-4-11/h3-9,18H,10H2,1-2H3,(H,19,20)