3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-mesityl-1H-1,2,4-triazol-5-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C

InChI

InChI=1S/C21H19N3O4S/c1-11-6-12(2)19(13(3)7-11)24-20(27)22-23-21(24)29-10-14-8-18(26)28-17-9-15(25)4-5-16(14)17/h4-9,25H,10H2,1-3H3,(H,22,27)