2-tert-butyl-5-phenyl-4-prop-2-ynyl-1,2,4-triazol-3-one

Systemtic Name: 2-tert-butyl-5-phenyl-4-prop-2-ynyl-1,2,4-triazol-3-one Openeye Name: 2-tert-butyl-5-phenyl-4-prop-2-ynyl-1,2,4-triazol-3-one CAS Name: 2-tert-butyl-5-phenyl-4-prop-2-ynyl-1,2,4-triazol-3-one IUPAC Name: 2-tert-butyl-5-phenyl-4-prop-2-ynyl-1,2,4-triazol-3-one Traditional Name: 2-tert-butyl-5-phenyl-4-propargyl-1,2,4-triazol-3-one Formula: C15H17N3O MolecularWeight: 255.31498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)N(C(=N1)C2=CC=CC=C2)CC#C

Isomeric SMILES

CC(C)(C)N1C(=O)N(C(=N1)C2=CC=CC=C2)CC#C

InChI

InChI=1S/C15H17N3O/c1-5-11-17-13(12-9-7-6-8-10-12)16-18(14(17)19)15(2,3)4/h1,6-10H,11H2,2-4H3