3-[[2-chloranyl-3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]phenyl]-ethyl-amino]propanenitrile

Systemtic Name: 3-[[2-chloranyl-3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]phenyl]-ethyl-amino]propanenitrile Openeye Name: 3-[2-chloro-N-ethyl-3-methyl-4-(4-methylsulfonylphenyl)azo-anilino]propanenitrile CAS Name: 3-[2-chloro-N-ethyl-3-methyl-4-(4-methylsulfonylphenyl)azoanilino]propanenitrile IUPAC Name: 3-[2-chloro-N-ethyl-3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]anilino]propanenitrile Traditional Name: 3-[2-chloro-N-ethyl-4-(4-mesylphenyl)azo-3-methyl-anilino]propionitrile Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=C(C(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)C)C)Cl

Isomeric SMILES

CCN(CCC#N)C1=C(C(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)C)C)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-4-24(13-5-12-21)18-11-10-17(14(2)19(18)20)23-22-15-6-8-16(9-7-15)27(3,25)26/h6-11H,4-5,13H2,1-3H3