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

Systemtic Name: 2-[2-(azepan-1-yl)ethylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)ethylsulfanyl]-4-(4-chlorophenyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1-azepanyl)ethylthio]-4-(4-chlorophenyl)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)ethylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[2-(azepan-1-yl)ethylthio]-4-(4-chlorophenyl)-6-(2-thienyl)nicotinonitrile Formula: C24H24ClN3S2 MolecularWeight: 454.05046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C24H24ClN3S2/c25-19-9-7-18(8-10-19)20-16-22(23-6-5-14-29-23)27-24(21(20)17-26)30-15-13-28-11-3-1-2-4-12-28/h5-10,14,16H,1-4,11-13,15H2