4-(3,5-dimethylphenyl)sulfanyl-3-iodanyl-6-methyl-5-[(3-phenyl-1,2,4-triazol-1-yl)methyl]-1H-pyridin-2-one

Systemtic Name: 4-(3,5-dimethylphenyl)sulfanyl-3-iodanyl-6-methyl-5-[(3-phenyl-1,2,4-triazol-1-yl)methyl]-1H-pyridin-2-one Openeye Name: 4-(3,5-dimethylphenyl)sulfanyl-3-iodo-6-methyl-5-[(3-phenyl-1,2,4-triazol-1-yl)methyl]-1H-pyridin-2-one CAS Name: 4-[(3,5-dimethylphenyl)thio]-3-iodo-6-methyl-5-[(3-phenyl-1,2,4-triazol-1-yl)methyl]-1H-pyridin-2-one IUPAC Name: 4-(3,5-dimethylphenyl)sulfanyl-3-iodo-6-methyl-5-[(3-phenyl-1,2,4-triazol-1-yl)methyl]-1H-pyridin-2-one Traditional Name: 4-[(3,5-dimethylphenyl)thio]-3-iodo-6-methyl-5-[(3-phenyl-1,2,4-triazol-1-yl)methyl]-2-pyridone Formula: C23H21IN4OS MolecularWeight: 528.40851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3C=NC(=N3)C4=CC=CC=C4)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3C=NC(=N3)C4=CC=CC=C4)C)I)C

InChI

InChI=1S/C23H21IN4OS/c1-14-9-15(2)11-18(10-14)30-21-19(16(3)26-23(29)20(21)24)12-28-13-25-22(27-28)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,26,29)