2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanol

Systemtic Name: 2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanol Openeye Name: 2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanol CAS Name: 2-[[5-[2-(butylthio)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanol IUPAC Name: 2-[[5-(2-butylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanol Traditional Name: 2-[[5-[2-(butylthio)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanol Formula: C16H23N3OS2 MolecularWeight: 337.50332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=NN=C(N1C2=CC=CC=C2)SCCO

Isomeric SMILES

CCCCSCCC1=NN=C(N1C2=CC=CC=C2)SCCO

InChI

InChI=1S/C16H23N3OS2/c1-2-3-11-21-12-9-15-17-18-16(22-13-10-20)19(15)14-7-5-4-6-8-14/h4-8,20H,2-3,9-13H2,1H3