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

Systemtic Name: 3-methyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-methyl-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-methyl-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-methyl-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

InChI

InChI=1S/C21H17N3OS2/c1-14-5-4-6-15(11-14)20(25)23-16-8-9-18-19(12-16)27-21(24-18)26-13-17-7-2-3-10-22-17/h2-12H,13H2,1H3,(H,23,25)