5-nitro-2-(thian-4-ylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(thian-4-ylamino)benzenecarbonitrile Openeye Name: 5-nitro-2-(tetrahydrothiopyran-4-ylamino)benzonitrile CAS Name: 5-nitro-2-(4-thianylamino)benzonitrile IUPAC Name: 5-nitro-2-(thian-4-ylamino)benzonitrile Traditional Name: 5-nitro-2-(tetrahydrothiopyran-4-ylamino)benzonitrile Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CSCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H13N3O2S/c13-8-9-7-11(15(16)17)1-2-12(9)14-10-3-5-18-6-4-10/h1-2,7,10,14H,3-6H2