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

Systemtic Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C15H19N3O4S/c1-4-7-18-14(20)16-17-15(18)23-9-12(19)11-8-10(21-2)5-6-13(11)22-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,20)