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

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

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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)S(=O)(=O)C)Cl)C

Isomeric SMILES

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

InChI

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