N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-(4-mesylphenyl)acetamide Formula: C23H19N5O3S3 MolecularWeight: 509.62366

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H19N5O3S3/c1-34(30,31)17-9-6-15(7-10-17)12-22(29)24-16-8-11-19-21(13-16)33-23(25-19)32-14-28-20-5-3-2-4-18(20)26-27-28/h2-11,13H,12,14H2,1H3,(H,24,29)