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

Systemtic Name: 3-[[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 3-[4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 3-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCC#N)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCC#N)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O2S/c17-8-1-9-18-11-2-4-12(5-3-11)20-21-16-19-14-7-6-13(22(23)24)10-15(14)25-16/h2-7,10,18H,1,9H2