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

Systemtic Name: 3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propionitrile Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2S/c14-5-1-7-17(8-2-6-15)13-16-11-4-3-10(18(19)20)9-12(11)21-13/h3-4,9H,1-2,7-8H2