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

Systemtic Name: 2-[(3E)-3-[(4-chlorophenyl)methylidene]-2-propan-2-yl-pentyl]-1H-1,2,4-triazol-5-one Openeye Name: 2-[(3E)-3-[(4-chlorophenyl)methylene]-2-isopropyl-pentyl]-1H-1,2,4-triazol-5-one CAS Name: 2-[(3E)-3-[(4-chlorophenyl)methylidene]-2-propan-2-ylpentyl]-1H-1,2,4-triazol-5-one IUPAC Name: 2-[(3E)-3-[(4-chlorophenyl)methylidene]-2-propan-2-ylpentyl]-1H-1,2,4-triazol-5-one Traditional Name: 2-[(E)-4-(4-chlorophenyl)-3-ethyl-2-isopropyl-but-3-enyl]-1H-1,2,4-triazol-5-one Formula: C17H22ClN3O MolecularWeight: 319.82908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=C(C=C1)Cl)C(CN2C=NC(=O)N2)C(C)C

Isomeric SMILES

CC/C(=C\C1=CC=C(C=C1)Cl)/C(CN2C=NC(=O)N2)C(C)C

InChI

InChI=1S/C17H22ClN3O/c1-4-14(9-13-5-7-15(18)8-6-13)16(12(2)3)10-21-11-19-17(22)20-21/h5-9,11-12,16H,4,10H2,1-3H3,(H,20,22)/b14-9+