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

Systemtic Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H21N3O5S/c1-22-8-4-7-19-15(21)17-18-16(19)25-10-13(20)12-9-11(23-2)5-6-14(12)24-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,21)