2-[2-(azepan-1-ium-1-yl)ethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-ium-1-yl)ethylsulfanyl]-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1-azepan-1-iumyl)ethylthio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azepan-1-ium-1-yl)ethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[2-(azepan-1-ium-1-yl)ethylthio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C24H26N3S2+ MolecularWeight: 420.61334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H25N3S2/c25-18-21-20(19-9-4-3-5-10-19)17-22(23-11-8-15-28-23)26-24(21)29-16-14-27-12-6-1-2-7-13-27/h3-5,8-11,15,17H,1-2,6-7,12-14,16H2/p+1