4-(2,5-dimethoxyphenyl)-6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

Systemtic Name: 4-(2,5-dimethoxyphenyl)-6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Openeye Name: 4-(2,5-dimethoxyphenyl)-6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile CAS Name: 4-(2,5-dimethoxyphenyl)-6-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile IUPAC Name: 4-(2,5-dimethoxyphenyl)-6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Traditional Name: 4-(2,5-dimethoxyphenyl)-2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(CN(CC3)C)C(=C2C#N)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(CN(CC3)C)C(=C2C#N)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C27H27N3O3S/c1-17-5-7-18(8-6-17)24(31)16-34-27-21(14-28)26(22-15-30(2)12-11-23(22)29-27)20-13-19(32-3)9-10-25(20)33-4/h5-10,13H,11-12,15-16H2,1-4H3