3-[ethyl-[4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[ethyl-[4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-ethyl-4-(2-methylsulfonyl-4-nitro-phenyl)azo-anilino]propanenitrile CAS Name: 3-[N-ethyl-4-(2-methylsulfonyl-4-nitrophenyl)azoanilino]propanenitrile IUPAC Name: 3-[N-ethyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-ethyl-4-(2-mesyl-4-nitro-phenyl)azo-anilino]propionitrile Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C18H19N5O4S/c1-3-22(12-4-11-19)15-7-5-14(6-8-15)20-21-17-10-9-16(23(24)25)13-18(17)28(2,26)27/h5-10,13H,3-4,12H2,1-2H3