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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-4-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide Formula: C16H15N5O5S3 MolecularWeight: 453.5158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5S3/c1-26-11-4-2-10(3-5-11)9-18-15-19-20-16(28-15)27-14-7-6-12(29(17,24)25)8-13(14)21(22)23/h2-8H,9H2,1H3,(H,18,19)(H2,17,24,25)