4-[4-(3,5-dimethylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridine-2-thione

Systemtic Name: 4-[4-(3,5-dimethylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridine-2-thione Openeye Name: 4-[4-(3,5-dimethylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridine-2-thione CAS Name: 4-[4-(3,5-dimethylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridine-2-thione IUPAC Name: 4-[4-(3,5-dimethylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridine-2-thione Traditional Name: 4-[4-(3,5-dimethylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridine-2-thione Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC#CCOC2=CC(=S)N(C3=C2C=CC=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC#CCOC2=CC(=S)N(C3=C2C=CC=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H22N2O2S/c1-19-15-20(2)17-22(16-19)29-13-6-7-14-30-24-18-25(31)28(21-9-4-3-5-10-21)26-23(24)11-8-12-27-26/h3-5,8-12,15-18H,13-14H2,1-2H3