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

Systemtic Name: 3,4-bis(chloranyl)-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3,4-dichloro-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 3,4-dichloro-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,4-dichloro-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3,4-dichloro-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C20H13Cl2N3OS2 MolecularWeight: 446.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H13Cl2N3OS2/c21-15-6-4-12(9-16(15)22)19(26)24-13-5-7-17-18(10-13)28-20(25-17)27-11-14-3-1-2-8-23-14/h1-10H,11H2,(H,24,26)