1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=NC(=N2)C)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=NC(=N2)C)C)O

InChI

InChI=1S/C16H21N3O3/c1-4-16(21)13-5-7-15(8-6-13)22-10-14(20)9-19-12(3)17-11(2)18-19/h5-8,14,20H,4,9-10H2,1-3H3