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

Systemtic Name: 3-[2-hydroxyethyl-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-(2-hydroxyethyl)-4-[(6-mesyl-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N=NC3=CC=C(C=C3)N(CCC#N)CCO

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N=NC3=CC=C(C=C3)N(CCC#N)CCO

InChI

InChI=1S/C19H19N5O3S2/c1-29(26,27)16-7-8-17-18(13-16)28-19(21-17)23-22-14-3-5-15(6-4-14)24(11-12-25)10-2-9-20/h3-8,13,25H,2,10-12H2,1H3