3-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile

Systemtic Name: 3-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile Openeye Name: 3-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile CAS Name: 3-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile IUPAC Name: 3-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile Traditional Name: 3-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propionitrile Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N(C)CCC#N

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N(C)CCC#N

InChI

InChI=1S/C12H12N4O2S/c1-8-14-9-6-10(15(2)5-3-4-13)11(16(17)18)7-12(9)19-8/h6-7H,3,5H2,1-2H3