2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C27H24N6O3S MolecularWeight: 512.58286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC(=O)NC(=O)N5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC(=O)NC(=O)N5

InChI

InChI=1S/C27H24N6O3S/c1-16-10-11-17(2)22(12-16)33-23(13-19-14-24(34)30-26(36)28-19)31-32-27(33)37-15-25(35)29-21-9-5-7-18-6-3-4-8-20(18)21/h3-12,14H,13,15H2,1-2H3,(H,29,35)(H2,28,30,34,36)