4-(2-methoxyphenyl)-6-phenyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(2-methoxyphenyl)-6-phenyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(2-methoxyphenyl)-6-phenyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile CAS Name: 4-(2-methoxyphenyl)-6-phenyl-2-(prop-2-ynylthio)-3-pyridinecarbonitrile IUPAC Name: 4-(2-methoxyphenyl)-6-phenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile Traditional Name: 4-(2-methoxyphenyl)-6-phenyl-2-(propargylthio)nicotinonitrile Formula: C22H16N2OS MolecularWeight: 356.44024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC#C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC#C)C3=CC=CC=C3

InChI

InChI=1S/C22H16N2OS/c1-3-13-26-22-19(15-23)18(17-11-7-8-12-21(17)25-2)14-20(24-22)16-9-5-4-6-10-16/h1,4-12,14H,13H2,2H3