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

Systemtic Name: 3-[ethyl-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 3-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 3-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O2S/c1-2-23(11-3-10-19)14-6-4-13(5-7-14)21-22-18-20-16-9-8-15(24(25)26)12-17(16)27-18/h4-9,12H,2-3,11H2,1H3