3-nitro-4-thiomorpholin-4-yl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-thiomorpholin-4-yl-benzenecarbonitrile Openeye Name: 3-nitro-4-thiomorpholino-benzonitrile CAS Name: 3-nitro-4-thiomorpholin-4-ylbenzonitrile IUPAC Name: 3-nitro-4-thiomorpholin-4-ylbenzonitrile Traditional Name: 3-nitro-4-thiomorpholino-benzonitrile Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c12-8-9-1-2-10(11(7-9)14(15)16)13-3-5-17-6-4-13/h1-2,7H,3-6H2