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

Systemtic Name: 4-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H21N3O4S/c1-4-5-8-19-15(21)17-18-16(19)24-10-12(20)11-6-7-13(22-2)14(9-11)23-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,21)