3-methyl-3-[(2-phenyl-1,3-dioxan-5-yl)sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 3-methyl-3-[(2-phenyl-1,3-dioxan-5-yl)sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 3-methyl-3-[(2-phenyl-1,3-dioxan-5-yl)sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 3-methyl-3-[(2-phenyl-1,3-dioxan-5-yl)thio]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 3-methyl-3-[(2-phenyl-1,3-dioxan-5-yl)sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 3-methyl-3-[(2-phenyl-1,3-dioxan-5-yl)thio]-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CN1C=NC=N1)O)SC2COC(OC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C(CN1C=NC=N1)O)SC2COC(OC2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3S/c1-17(2,15(21)8-20-12-18-11-19-20)24-14-9-22-16(23-10-14)13-6-4-3-5-7-13/h3-7,11-12,14-16,21H,8-10H2,1-2H3