2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanyl-propanenitrile

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanyl-propanenitrile Openeye Name: 2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanyl-propanenitrile CAS Name: 2-(1,3-benzoxazol-2-yl)-3-mercapto-2-methylpropanenitrile IUPAC Name: 2-(1,3-benzoxazol-2-yl)-2-methyl-3-sulfanylpropanenitrile Traditional Name: 2-(1,3-benzoxazol-2-yl)-3-mercapto-2-methyl-propionitrile Formula: C11H10N2OS MolecularWeight: 218.2749

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)(C#N)C1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(CS)(C#N)C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C11H10N2OS/c1-11(6-12,7-15)10-13-8-4-2-3-5-9(8)14-10/h2-5,15H,7H2,1H3