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

Systemtic Name: 4-(4-chlorophenyl)-2-(1-methyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 4-(4-chlorophenyl)-2-(1-methyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 4-(4-chlorophenyl)-2-(2-mercapto-1-methylcyclopropyl)-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 4-(4-chlorophenyl)-2-(1-methyl-2-sulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 4-(4-chlorophenyl)-2-(2-mercapto-1-methyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1S)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)O

Isomeric SMILES

CC1(CC1S)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)O

InChI

InChI=1S/C16H20ClN3OS/c1-15(8-14(15)22)16(21,9-20-11-18-10-19-20)7-6-12-2-4-13(17)5-3-12/h2-5,10-11,14,21-22H,6-9H2,1H3