2-azanyl-6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-(4-isopropylphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-p-cumenyl-dinicotinonitrile Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)N3CCCCCC3)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)N3CCCCCC3)N)C#N

InChI

InChI=1S/C24H27N5OS/c1-16(2)17-7-9-18(10-8-17)22-19(13-25)23(27)28-24(20(22)14-26)31-15-21(30)29-11-5-3-4-6-12-29/h7-10,16H,3-6,11-12,15H2,1-2H3,(H2,27,28)