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

Systemtic Name: 3-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H23N3O2S/c1-14-11-16(3)18(12-15(14)2)19(25)13-27-21-23-22-20(26)24(21)10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,26)