N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]-2-(4-pyridylthio)acetamide Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

InChI

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