5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(4-thiazol-2-ylphenyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[[4-(2-thiazolyl)phenyl]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-methyl-4-(4-thiazol-2-ylbenzyl)-3-pyrazolin-3-one Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CC2=CC=C(C=C2)C3=NC=CS3

Isomeric SMILES

CC1=C(C(=O)NN1)CC2=CC=C(C=C2)C3=NC=CS3

InChI

InChI=1S/C14H13N3OS/c1-9-12(13(18)17-16-9)8-10-2-4-11(5-3-10)14-15-6-7-19-14/h2-7H,8H2,1H3,(H2,16,17,18)