4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-phenyl-3H-1,2,4-triazole

Systemtic Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-phenyl-3H-1,2,4-triazole Openeye Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-phenyl-3H-1,2,4-triazole CAS Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-phenyl-3H-1,2,4-triazole IUPAC Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-phenyl-3H-1,2,4-triazole Traditional Name: 4-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-phenyl-3H-1,2,4-triazole Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)N3CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N3CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H23N3O2/c1-20(2)24-13-18(19(25-20)16-9-5-3-6-10-16)22-14-21-23(15-22)17-11-7-4-8-12-17/h3-12,14,18-19H,13,15H2,1-2H3/t18-,19-/m0/s1