2-[4-(3-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-5-methyl-4-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-1H-pyrazol-3-one

Systemtic Name: 2-[4-(3-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-5-methyl-4-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-1H-pyrazol-3-one Openeye Name: 2-[4-(3-chloro-2-thienyl)thiazol-2-yl]-4-[(E)-1-hydroxy-3-oxo-but-1-enyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[4-(3-chloro-2-thiophenyl)-2-thiazolyl]-4-[(E)-1-hydroxy-3-oxobut-1-enyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[(E)-1-hydroxy-3-oxobut-1-enyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[4-(3-chloro-2-thienyl)thiazol-2-yl]-4-[(E)-1-hydroxy-3-keto-but-1-enyl]-5-methyl-3-pyrazolin-3-one Formula: C15H12ClN3O3S2 MolecularWeight: 381.85708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=C(C=CS3)Cl)C(=CC(=O)C)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=C(C=CS3)Cl)/C(=C\C(=O)C)/O

InChI

InChI=1S/C15H12ClN3O3S2/c1-7(20)5-11(21)12-8(2)18-19(14(12)22)15-17-10(6-24-15)13-9(16)3-4-23-13/h3-6,18,21H,1-2H3/b11-5+