6-cyclopropyl-4-(4-methoxyphenyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-(phenacylthio)nicotinonitrile Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C24H20N2O2S/c1-28-19-11-9-16(10-12-19)20-13-22(17-7-8-17)26-24(21(20)14-25)29-15-23(27)18-5-3-2-4-6-18/h2-6,9-13,17H,7-8,15H2,1H3