4-(2,5-dimethoxyphenyl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

Systemtic Name: 4-(2,5-dimethoxyphenyl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile CAS Name: 4-(2,5-dimethoxyphenyl)-6-methyl-2-(2-oxopropylthio)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile IUPAC Name: 4-(2,5-dimethoxyphenyl)-6-methyl-2-(2-oxopropylsulfanyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(CN(CC2)C)C(=C1C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)CSC1=NC2=C(CN(CC2)C)C(=C1C#N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-13(25)12-28-21-16(10-22)20(17-11-24(2)8-7-18(17)23-21)15-9-14(26-3)5-6-19(15)27-4/h5-6,9H,7-8,11-12H2,1-4H3