(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)ethanenitrile

Systemtic Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)ethanenitrile Openeye Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile CAS Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile IUPAC Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile Traditional Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O2S/c1-18-14-4-2-3-5-15(14)22-16(18)13(10-17)11-6-8-12(9-7-11)19(20)21/h2-9H,1H3/b16-13-