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

Systemtic Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile Openeye Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile CAS Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanenitrile IUPAC Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile Traditional Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionitrile Formula: C10H7N3O2S2 MolecularWeight: 265.31148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O2S2/c11-4-1-5-16-10-12-8-3-2-7(13(14)15)6-9(8)17-10/h2-3,6H,1,5H2