5-[[5-cyano-4-methyl-2,6-bis[(4-octylphenyl)amino]pyridin-3-yl]diazenyl]-3-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[[5-cyano-4-methyl-2,6-bis[(4-octylphenyl)amino]pyridin-3-yl]diazenyl]-3-methyl-1,2-thiazole-4-carbonitrile Openeye Name: 5-[[5-cyano-4-methyl-2,6-bis(4-octylanilino)-3-pyridyl]azo]-3-methyl-isothiazole-4-carbonitrile CAS Name: 5-[[5-cyano-4-methyl-2,6-bis(4-octylanilino)-3-pyridinyl]azo]-3-methyl-4-isothiazolecarbonitrile IUPAC Name: 5-[[5-cyano-4-methyl-2,6-bis(4-octylanilino)pyridin-3-yl]diazenyl]-3-methyl-1,2-thiazole-4-carbonitrile Traditional Name: 5-[[5-cyano-4-methyl-2,6-bis(4-octylanilino)-3-pyridyl]azo]-3-methyl-isothiazole-4-carbonitrile Formula: C40H50N8S MolecularWeight: 674.9436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC2=C(C(=C(C(=N2)NC3=CC=C(C=C3)CCCCCCCC)C#N)C)N=NC4=C(C(=NS4)C)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC2=C(C(=C(C(=N2)NC3=CC=C(C=C3)CCCCCCCC)C#N)C)N=NC4=C(C(=NS4)C)C#N

InChI

InChI=1S/C40H50N8S/c1-5-7-9-11-13-15-17-31-19-23-33(24-20-31)43-38-35(27-41)29(3)37(46-47-40-36(28-42)30(4)48-49-40)39(45-38)44-34-25-21-32(22-26-34)18-16-14-12-10-8-6-2/h19-26H,5-18H2,1-4H3,(H2,43,44,45)