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

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

C1=CC(=C(C=C1N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)NCCC#N

InChI

InChI=1S/C16H11ClN6O2S/c17-12-8-10(2-4-13(12)19-7-1-6-18)21-22-16-20-14-5-3-11(23(24)25)9-15(14)26-16/h2-5,8-9,19H,1,7H2