5-ethanoyl-4-(furan-2-yl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-4-(furan-2-yl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(2-furyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(2-furanyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(furan-2-yl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(2-furyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)C

InChI

InChI=1S/C21H18N2O3S/c1-13-19(14(2)24)20(18-9-6-10-26-18)16(11-22)21(23-13)27-12-17(25)15-7-4-3-5-8-15/h3-10,20,23H,12H2,1-2H3