N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-5-yl)-2-(4-pyridylmethylthio)nicotinamide Formula: C20H16N4OS2 MolecularWeight: 392.49724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C20H16N4OS2/c1-13-23-17-11-15(4-5-18(17)27-13)24-19(25)16-3-2-8-22-20(16)26-12-14-6-9-21-10-7-14/h2-11H,12H2,1H3,(H,24,25)