3-[2-hydroxyethyl-[4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-hydroxyethyl-[4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O3S/c19-8-1-9-23(10-11-25)14-4-2-13(3-5-14)21-22-18-20-16-12-15(24(26)27)6-7-17(16)28-18/h2-7,12,25H,1,9-11H2