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

Systemtic Name: 4-methyl-N-[5-(1-phenyltridecylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[5-(1-phenyltridecylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide CAS Name: 4-methyl-N-[5-(1-phenyltridecylthio)-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[5-(1-phenyltridecylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[5-(1-phenyltridecylthio)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Formula: C28H39N3O2S3 MolecularWeight: 545.82316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1)SC2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1)SC2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H39N3O2S3/c1-3-4-5-6-7-8-9-10-11-15-18-26(24-16-13-12-14-17-24)34-28-30-29-27(35-28)31-36(32,33)25-21-19-23(2)20-22-25/h12-14,16-17,19-22,26H,3-11,15,18H2,1-2H3,(H,29,31)