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

Systemtic Name: 2-[butyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 2-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 2-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 2-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 2-[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(C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(C)C#N

Isomeric SMILES

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

InChI

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