3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(4-isopropylphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(2-keto-2-p-cumenyl-ethyl)thio]-1H-1,2,4-triazol-5-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-14(2)16-8-10-17(11-9-16)18(24)13-26-20-22-21-19(25)23(20)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,25)