1-(4-chlorophenyl)-1-(1-octylsulfanylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol

Systemtic Name: 1-(4-chlorophenyl)-1-(1-octylsulfanylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol Openeye Name: 1-(4-chlorophenyl)-1-(1-octylsulfanylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol CAS Name: 1-(4-chlorophenyl)-1-[1-(octylthio)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol IUPAC Name: 1-(4-chlorophenyl)-1-(1-octylsulfanylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol Traditional Name: 1-(4-chlorophenyl)-1-[1-(octylthio)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol Formula: C21H30ClN3OS MolecularWeight: 408.0004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1(CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCCCCCSC1(CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H30ClN3OS/c1-2-3-4-5-6-7-14-27-20(12-13-20)21(26,15-25-17-23-16-24-25)18-8-10-19(22)11-9-18/h8-11,16-17,26H,2-7,12-15H2,1H3