4-methyl-2,6-bis[(4-octylphenyl)amino]-5-(sulfanylmethyldiazenyl)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2,6-bis[(4-octylphenyl)amino]-5-(sulfanylmethyldiazenyl)pyridine-3-carbonitrile Openeye Name: 4-methyl-2,6-bis(4-octylanilino)-5-(sulfanylmethylazo)pyridine-3-carbonitrile CAS Name: 5-(mercaptomethylazo)-4-methyl-2,6-bis(4-octylanilino)-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2,6-bis(4-octylanilino)-5-(sulfanylmethyldiazenyl)pyridine-3-carbonitrile Traditional Name: 5-(mercaptomethylazo)-4-methyl-2,6-bis(4-octylanilino)nicotinonitrile Formula: C36H50N6S MolecularWeight: 598.8874

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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=NCS

Isomeric SMILES

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

InChI

InChI=1S/C36H50N6S/c1-4-6-8-10-12-14-16-29-18-22-31(23-19-29)39-35-33(26-37)28(3)34(42-38-27-43)36(41-35)40-32-24-20-30(21-25-32)17-15-13-11-9-7-5-2/h18-25,43H,4-17,27H2,1-3H3,(H2,39,40,41)