N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-chloranyl-4-methylsulfonyl-benzamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-chloranyl-4-methylsulfonyl-benzamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-chloro-4-methylsulfonyl-benzamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-chloro-4-methylsulfonylbenzamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-chloro-4-methylsulfonylbenzamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-chloro-4-mesyl-benzamide Formula: C22H16ClN5O3S3 MolecularWeight: 530.04214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5O3S3/c1-34(30,31)14-7-8-15(16(23)11-14)21(29)24-13-6-9-18-20(10-13)33-22(25-18)32-12-28-19-5-3-2-4-17(19)26-27-28/h2-11H,12H2,1H3,(H,24,29)