2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxypyran-4-one Traditional Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-hydroxy-pyran-4-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=O)C(=CO3)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=O)C(=CO3)O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H19N3O3S/c1-14-8-9-17(10-15(14)2)25-21(16-6-4-3-5-7-16)23-24-22(25)29-13-18-11-19(26)20(27)12-28-18/h3-12,27H,13H2,1-2H3