3-[(2-ethylphenyl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-ethylphenyl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-ethylphenyl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-ethylphenyl)methylthio]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-ethylphenyl)methylsulfanyl]-4-(2,4,6-trimethylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-ethylbenzyl)thio]-4-mesityl-1H-1,2,4-triazol-5-one Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CSC2=NNC(=O)N2C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCC1=CC=CC=C1CSC2=NNC(=O)N2C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C20H23N3OS/c1-5-16-8-6-7-9-17(16)12-25-20-22-21-19(24)23(20)18-14(3)10-13(2)11-15(18)4/h6-11H,5,12H2,1-4H3,(H,21,24)