2-[(E)-2-tert-butyl-4-(4-chlorophenyl)but-3-enyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 2-[(E)-2-tert-butyl-4-(4-chlorophenyl)but-3-enyl]-1H-1,2,4-triazol-5-one Openeye Name: 2-[(E)-2-tert-butyl-4-(4-chlorophenyl)but-3-enyl]-1H-1,2,4-triazol-5-one CAS Name: 2-[(E)-2-tert-butyl-4-(4-chlorophenyl)but-3-enyl]-1H-1,2,4-triazol-5-one IUPAC Name: 2-[(E)-2-tert-butyl-4-(4-chlorophenyl)but-3-enyl]-1H-1,2,4-triazol-5-one Traditional Name: 2-[(E)-2-tert-butyl-4-(4-chlorophenyl)but-3-enyl]-1H-1,2,4-triazol-5-one Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=NC(=O)N1)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(CN1C=NC(=O)N1)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN3O/c1-16(2,3)13(10-20-11-18-15(21)19-20)7-4-12-5-8-14(17)9-6-12/h4-9,11,13H,10H2,1-3H3,(H,19,21)/b7-4+