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

Systemtic Name: 2-[[2-chloranyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 2-[2-chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 2-[2-chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 2-[2-chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 2-[2-chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C16H11ClN6O2S MolecularWeight: 386.81554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)NC1=C(C=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C#N)NC1=C(C=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN6O2S/c1-9(8-18)19-13-4-2-10(6-12(13)17)21-22-16-20-14-5-3-11(23(24)25)7-15(14)26-16/h2-7,9,19H,1H3