2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-dimethylaminophenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-dimethylaminophenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-(4-dimethylaminophenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-(4-dimethylaminophenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-dimethylaminophenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-(4-dimethylaminophenyl)-6-phenyl-nicotinonitrile Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-31(2)23-14-12-21(13-15-23)24-18-26(22-10-6-5-7-11-22)30-28(25(24)19-29)34-20-27(33)32-16-8-3-4-9-17-32/h5-7,10-15,18H,3-4,8-9,16-17,20H2,1-2H3