3-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3OS/c1-14-8-9-15(2)17(12-14)13-24-19-21-20-18(23)22(19)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)