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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3)OC

InChI

InChI=1S/C19H19N3O4S/c1-25-16-9-8-14(10-17(16)26-2)15(23)12-27-19-21-20-18(24)22(19)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,24)