(3S,4S)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3,4-dihydrochromen-4-ol

Systemtic Name: (3S,4S)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3,4-dihydrochromen-4-ol Openeye Name: (3S,4S)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)chroman-4-ol CAS Name: (3S,4S)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (3S,4S)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3,4-dihydrochromen-4-ol Traditional Name: (3S,4S)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)chroman-4-ol Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC=C2O1)O)CN3C=NC=N3)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=CC=CC=C2O1)O)CN3C=NC=N3)C

InChI

InChI=1S/C14H17N3O2/c1-14(2)11(7-17-9-15-8-16-17)13(18)10-5-3-4-6-12(10)19-14/h3-6,8-9,11,13,18H,7H2,1-2H3/t11-,13+/m0/s1