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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC#C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC#C)C3=CC=CC=C3

InChI

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