3-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-isopropyl-4-methoxy-2-methyl-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-isopropyl-4-methoxy-2-methyl-benzyl)thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NNC(=O)N2C3=CC=CC=C3)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NNC(=O)N2C3=CC=CC=C3)C(C)C)OC

InChI

InChI=1S/C20H23N3O2S/c1-13(2)17-11-15(14(3)10-18(17)25-4)12-26-20-22-21-19(24)23(20)16-8-6-5-7-9-16/h5-11,13H,12H2,1-4H3,(H,21,24)