4-[[5,5-dimethyl-4-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5,5-dimethyl-4-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]benzonitrile CAS Name: 4-[[4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)-2-oxolanyl]methyl]benzonitrile IUPAC Name: 4-[[4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]methyl]benzonitrile Traditional Name: 4-[[4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]benzonitrile Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(O1)CC2=CC=C(C=C2)C#N)(CN3C=NC=N3)O)C

Isomeric SMILES

CC1(C(CC(O1)CC2=CC=C(C=C2)C#N)(CN3C=NC=N3)O)C

InChI

InChI=1S/C17H20N4O2/c1-16(2)17(22,10-21-12-19-11-20-21)8-15(23-16)7-13-3-5-14(9-18)6-4-13/h3-6,11-12,15,22H,7-8,10H2,1-2H3