3,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-4-isoxazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]isoxazole-4-carboxamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C19H16N4O2S2/c1-11-17(12(2)25-23-11)18(24)21-14-5-6-15-16(8-14)27-19(22-15)26-10-13-4-3-7-20-9-13/h3-9H,10H2,1-2H3,(H,21,24)