1-[4-[3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-2-hydroxy-propoxy]phenyl]ethanone Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(=O)C)O)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(=O)C)O)C3=CC=CS3

InChI

InChI=1S/C19H21N3O3S2/c1-3-22-18(17-5-4-10-26-17)20-21-19(22)27-12-15(24)11-25-16-8-6-14(7-9-16)13(2)23/h4-10,15,24H,3,11-12H2,1-2H3