3-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile

Systemtic Name: 3-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile Openeye Name: 3-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile CAS Name: 3-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile IUPAC Name: 3-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile Traditional Name: 3-[methyl-(4-nitro-1,3-benzothiazol-5-yl)amino]propionitrile Formula: C11H10N4O2S MolecularWeight: 262.2877

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O2S/c1-14(6-2-5-12)8-3-4-9-10(13-7-18-9)11(8)15(16)17/h3-4,7H,2,6H2,1H3