4-(4-chlorophenyl)-2-(1-phenylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 4-(4-chlorophenyl)-2-(1-phenylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 4-(4-chlorophenyl)-2-(1-phenylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 4-(4-chlorophenyl)-2-[1-(phenylthio)cyclopropyl]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 4-(4-chlorophenyl)-2-(1-phenylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 4-(4-chlorophenyl)-2-[1-(phenylthio)cyclopropyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)O)SC4=CC=CC=C4

Isomeric SMILES

C1CC1(C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)O)SC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3OS/c22-18-8-6-17(7-9-18)10-11-20(26,14-25-16-23-15-24-25)21(12-13-21)27-19-4-2-1-3-5-19/h1-9,15-16,26H,10-14H2