2-(5-nitro-2-phenyl-1,3-benzothiazol-4-yl)ethanenitrile

Systemtic Name: 2-(5-nitro-2-phenyl-1,3-benzothiazol-4-yl)ethanenitrile Openeye Name: 2-(5-nitro-2-phenyl-1,3-benzothiazol-4-yl)acetonitrile CAS Name: 2-(5-nitro-2-phenyl-1,3-benzothiazol-4-yl)acetonitrile IUPAC Name: 2-(5-nitro-2-phenyl-1,3-benzothiazol-4-yl)acetonitrile Traditional Name: 2-(5-nitro-2-phenyl-1,3-benzothiazol-4-yl)acetonitrile Formula: C15H9N3O2S MolecularWeight: 295.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3CC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O2S/c16-9-8-11-12(18(19)20)6-7-13-14(11)17-15(21-13)10-4-2-1-3-5-10/h1-7H,8H2