3-cyano-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-cyano-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H16N4O2S2/c1-12-17(13(2)27-25-12)11-28-21-24-18-7-6-16(9-19(18)29-21)23-20(26)15-5-3-4-14(8-15)10-22/h3-9H,11H2,1-2H3,(H,23,26)