4-(4-chlorophenyl)-2-(1-phenyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 4-(4-chlorophenyl)-2-(1-phenyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 4-(4-chlorophenyl)-2-(1-phenyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 4-(4-chlorophenyl)-2-(2-mercapto-1-phenylcyclopropyl)-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 4-(4-chlorophenyl)-2-(1-phenyl-2-sulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 4-(4-chlorophenyl)-2-(2-mercapto-1-phenyl-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:

C1C(C1(C2=CC=CC=C2)C(CCC3=CC=C(C=C3)Cl)(CN4C=NC=N4)O)S

Isomeric SMILES

C1C(C1(C2=CC=CC=C2)C(CCC3=CC=C(C=C3)Cl)(CN4C=NC=N4)O)S

InChI

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