2-[(3-methoxyphenyl)methylsulfanyl]-4,6-dithiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-4,6-dithiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-4,6-bis(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[(3-methoxyphenyl)methylthio]-4,6-dithiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-4,6-dithiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-(m-anisylthio)-4,6-bis(2-thienyl)nicotinonitrile Formula: C22H16N2OS3 MolecularWeight: 420.57024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

InChI

InChI=1S/C22H16N2OS3/c1-25-16-6-2-5-15(11-16)14-28-22-18(13-23)17(20-7-3-9-26-20)12-19(24-22)21-8-4-10-27-21/h2-12H,14H2,1H3