2-(4-chlorophenyl)-3-(thietan-3-ylsulfinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 2-(4-chlorophenyl)-3-(thietan-3-ylsulfinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 2-(4-chlorophenyl)-3-(thietan-3-ylsulfinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 2-(4-chlorophenyl)-3-(3-thietanylsulfinyl)-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 2-(4-chlorophenyl)-3-(thietan-3-ylsulfinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 2-(4-chlorophenyl)-3-(thietan-3-ylsulfinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C15H18ClN3O2S2 MolecularWeight: 371.90532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O)S(=O)C3CSC3

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O)S(=O)C3CSC3

InChI

InChI=1S/C15H18ClN3O2S2/c1-11(23(21)14-6-22-7-14)15(20,8-19-10-17-9-18-19)12-2-4-13(16)5-3-12/h2-5,9-11,14,20H,6-8H2,1H3