(4E)-4-[1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]ethylidene]-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-4-[1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]ethylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]ethylidene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]ethylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]ethylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-4-[1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]ethylidene]-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCSCC2=C(NC=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(\C)/NCCSCC2=C(NC=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS/c1-4-8-18-20(21(27)26(25-18)17-9-6-5-7-10-17)16(3)22-11-12-28-13-19-15(2)23-14-24-19/h5-7,9-10,14,22H,4,8,11-13H2,1-3H3,(H,23,24)/b20-16+