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

Systemtic Name: 4-butyl-3-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-keto-2-p-phenetyl-ethyl)thio]-1H-1,2,4-triazol-5-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-3-5-10-19-15(21)17-18-16(19)23-11-14(20)12-6-8-13(9-7-12)22-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,17,21)