3-[2-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]phenol

Systemtic Name: 3-[2-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]phenol Openeye Name: 3-[2-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]phenol CAS Name: 3-[2-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]phenol IUPAC Name: 3-[2-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]phenol Traditional Name: 3-[2-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-3-yl]phenol Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)N2C(=NC(=N2)CN(C)C)C3=CC(=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)N2C(=NC(=N2)CN(C)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H26N4O/c1-21(2,3)16-9-7-10-17(13-16)25-20(15-8-6-11-18(26)12-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3