1-(4-chlorophenyl)-2-(1-methyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol

Systemtic Name: 1-(4-chlorophenyl)-2-(1-methyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol Openeye Name: 1-(4-chlorophenyl)-2-(1-methyl-2-sulfanyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol CAS Name: 1-(4-chlorophenyl)-2-(2-mercapto-1-methylcyclopropyl)-1-(1,2,4-triazol-1-yl)-3-buten-2-ol IUPAC Name: 1-(4-chlorophenyl)-2-(1-methyl-2-sulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol Traditional Name: 1-(4-chlorophenyl)-2-(2-mercapto-1-methyl-cyclopropyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1S)C(C=C)(C(C2=CC=C(C=C2)Cl)N3C=NC=N3)O

Isomeric SMILES

CC1(CC1S)C(C=C)(C(C2=CC=C(C=C2)Cl)N3C=NC=N3)O

InChI

InChI=1S/C16H18ClN3OS/c1-3-16(21,15(2)8-13(15)22)14(20-10-18-9-19-20)11-4-6-12(17)7-5-11/h3-7,9-10,13-14,21-22H,1,8H2,2H3