4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanenitrile

Systemtic Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanenitrile Openeye Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanenitrile CAS Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)thio]butanenitrile IUPAC Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanenitrile Traditional Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)thio]butyronitrile Formula: C11H9N3O2S2 MolecularWeight: 279.33806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCCCC#N

InChI

InChI=1S/C11H9N3O2S2/c12-5-1-2-6-17-11-13-9-4-3-8(14(15)16)7-10(9)18-11/h3-4,7H,1-2,6H2