2-(2-methylsulfanyl-5-nitro-1,3-benzoxazol-4-yl)ethanenitrile

Systemtic Name: 2-(2-methylsulfanyl-5-nitro-1,3-benzoxazol-4-yl)ethanenitrile Openeye Name: 2-(2-methylsulfanyl-5-nitro-1,3-benzoxazol-4-yl)acetonitrile CAS Name: 2-[2-(methylthio)-5-nitro-1,3-benzoxazol-4-yl]acetonitrile IUPAC Name: 2-(2-methylsulfanyl-5-nitro-1,3-benzoxazol-4-yl)acetonitrile Traditional Name: 2-[2-(methylthio)-5-nitro-1,3-benzoxazol-4-yl]acetonitrile Formula: C10H7N3O3S MolecularWeight: 249.24588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(O1)C=CC(=C2CC#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(O1)C=CC(=C2CC#N)[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O3S/c1-17-10-12-9-6(4-5-11)7(13(14)15)2-3-8(9)16-10/h2-3H,4H2,1H3