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

Systemtic Name: 3-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,4-dimethoxyphenyl)-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H21N3O4S/c1-26-15-8-9-16(18(12-15)27-2)17(24)13-28-20-22-21-19(25)23(20)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)