N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-methyl-2-pyridinyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-methylpyridin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-methyl-2-pyridyl)thio]butyramide Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=C(C=CC(=N3)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=C(C=CC(=N3)C)C#N

InChI

InChI=1S/C18H16N4OS2/c1-3-14(24-17-12(10-19)9-8-11(2)20-17)16(23)22-18-21-13-6-4-5-7-15(13)25-18/h4-9,14H,3H2,1-2H3,(H,21,22,23)