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3-[butyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile

3-[butyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile

Systemtic Name:3-[butyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile
Openeye Name:3-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile
CAS Name:3-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile
IUPAC Name:3-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Traditional Name:3-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propionitrile
Formula: C20H20N6O2S
MolecularWeight: 408.4768
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C20H20N6O2S/c1-2-3-12-25(13-4-11-21)16-7-5-15(6-8-16)23-24-20-22-18-10-9-17(26(27)28)14-19(18)29-20/h5-10,14H,2-4,12-13H2,1H3


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