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

Systemtic Name: 4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C15H13N5O5S3 MolecularWeight: 439.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5S3/c1-25-10-4-2-3-9(7-10)17-14-18-19-15(27-14)26-13-6-5-11(28(16,23)24)8-12(13)20(21)22/h2-8H,1H3,(H,17,18)(H2,16,23,24)