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

Systemtic Name: 3-[ethyl-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-ethyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile CAS Name: 3-[N-ethyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile IUPAC Name: 3-[N-ethyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-ethyl-4-[(6-mesyl-1,3-benzothiazol-2-yl)azo]anilino]propionitrile Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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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)S(=O)(=O)C

Isomeric SMILES

CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19N5O2S2/c1-3-24(12-4-11-20)15-7-5-14(6-8-15)22-23-19-21-17-10-9-16(28(2,25)26)13-18(17)27-19/h5-10,13H,3-4,12H2,1-2H3