2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-butoxyphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-butoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(4-butoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(4-butoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-butoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(4-butoxyphenyl)dinicotinonitrile Formula: C25H21BrN4O2S MolecularWeight: 521.42884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C25H21BrN4O2S/c1-2-3-12-32-19-10-6-17(7-11-19)23-20(13-27)24(29)30-25(21(23)14-28)33-15-22(31)16-4-8-18(26)9-5-16/h4-11H,2-3,12,15H2,1H3,(H2,29,30)