5-[(2-chloranyl-4-methylsulfonyl-phenyl)diazenyl]-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile

Systemtic Name: 5-[(2-chloranyl-4-methylsulfonyl-phenyl)diazenyl]-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile Openeye Name: 5-(2-chloro-4-methylsulfonyl-phenyl)azo-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile CAS Name: 5-(2-chloro-4-methylsulfonylphenyl)azo-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]-3-pyridinecarbonitrile IUPAC Name: 5-[(2-chloro-4-methylsulfonylphenyl)diazenyl]-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile Traditional Name: 5-(2-chloro-4-mesyl-phenyl)azo-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]nicotinonitrile Formula: C36H41ClN6O6S MolecularWeight: 721.26534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)C)Cl)NCCCOCCOC3=CC=CC=C3)NCCCOCCOC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)C)Cl)NCCCOCCOC3=CC=CC=C3)NCCCOCCOC4=CC=CC=C4)C#N

InChI

InChI=1S/C36H41ClN6O6S/c1-27-31(26-38)35(39-17-9-19-46-21-23-48-28-11-5-3-6-12-28)41-36(40-18-10-20-47-22-24-49-29-13-7-4-8-14-29)34(27)43-42-33-16-15-30(25-32(33)37)50(2,44)45/h3-8,11-16,25H,9-10,17-24H2,1-2H3,(H2,39,40,41)