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

Systemtic Name: 3-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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