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

Systemtic Name: 2-[(E)-4-(4-chlorophenyl)-2-propan-2-yl-but-3-enyl]-1H-1,2,4-triazol-5-one Openeye Name: 2-[(E)-4-(4-chlorophenyl)-2-isopropyl-but-3-enyl]-1H-1,2,4-triazol-5-one CAS Name: 2-[(E)-4-(4-chlorophenyl)-2-propan-2-ylbut-3-enyl]-1H-1,2,4-triazol-5-one IUPAC Name: 2-[(E)-4-(4-chlorophenyl)-2-propan-2-ylbut-3-enyl]-1H-1,2,4-triazol-5-one Traditional Name: 2-[(E)-4-(4-chlorophenyl)-2-isopropyl-but-3-enyl]-1H-1,2,4-triazol-5-one Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O/c1-11(2)13(9-19-10-17-15(20)18-19)6-3-12-4-7-14(16)8-5-12/h3-8,10-11,13H,9H2,1-2H3,(H,18,20)/b6-3+