3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-2-25-17-8-10-18(11-9-17)26-14-15-27-20-22-21-19(24)23(20)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,24)