2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-(1,3-benzoxazol-2-ylmethylthio)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(1,3-benzoxazol-2-ylmethylthio)-6-methyl-nicotinonitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=NC3=CC=CC=C3O2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=NC3=CC=CC=C3O2)C#N)C(=O)C

InChI

InChI=1S/C17H13N3O2S/c1-10-13(11(2)21)7-12(8-18)17(19-10)23-9-16-20-14-5-3-4-6-15(14)22-16/h3-7H,9H2,1-2H3