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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-5-6-19-15(21)17-18-16(19)25-9-11(20)10-7-12(22-2)14(24-4)13(8-10)23-3/h7-8H,5-6,9H2,1-4H3,(H,17,21)