4-butyl-3-[3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-hydroxy-3-veratryloxy-propyl)thio]-1H-1,2,4-triazol-5-one Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(COCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(COCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C18H27N3O5S/c1-4-5-8-21-17(23)19-20-18(21)27-12-14(22)11-26-10-13-6-7-15(24-2)16(9-13)25-3/h6-7,9,14,22H,4-5,8,10-12H2,1-3H3,(H,19,23)