3-methyl-2-[4-(phenylsulfinyl)phenyl]-1-(1,2,4-triazol-1-yl)heptan-2-ol

Systemtic Name: 3-methyl-2-[4-(phenylsulfinyl)phenyl]-1-(1,2,4-triazol-1-yl)heptan-2-ol Openeye Name: 2-[4-(benzenesulfinyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)heptan-2-ol CAS Name: 2-[4-(benzenesulfinyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)-2-heptanol IUPAC Name: 2-[4-(benzenesulfinyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)heptan-2-ol Traditional Name: 2-[4-(benzenesulfinyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)heptan-2-ol Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)S(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCCC(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)S(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H27N3O2S/c1-3-4-8-18(2)22(26,15-25-17-23-16-24-25)19-11-13-21(14-12-19)28(27)20-9-6-5-7-10-20/h5-7,9-14,16-18,26H,3-4,8,15H2,1-2H3