4-[5-ethyl-2-[(E)-pyrrolidin-1-ylmethylideneamino]-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[5-ethyl-2-[(E)-pyrrolidin-1-ylmethylideneamino]-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[5-ethyl-2-[(E)-pyrrolidin-1-ylmethyleneamino]thiazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[5-ethyl-2-[(E)-1-pyrrolidinylmethylideneamino]-4-thiazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[5-ethyl-2-[(E)-pyrrolidin-1-ylmethylideneamino]-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[5-ethyl-2-[(E)-pyrrolidinomethyleneamino]thiazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)N=CN2CCCC2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC1=C(N=C(S1)/N=C/N2CCCC2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H25N5OS/c1-4-17-19(23-21(28-17)22-14-25-12-8-9-13-25)18-15(2)24(3)26(20(18)27)16-10-6-5-7-11-16/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3/b22-14+