2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(chloromethyl)thiazol-2-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(chloromethyl)-2-thiazolyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(chloromethyl)thiazol-2-yl]methyl]phthalazin-1-one Formula: C13H10ClN3OS MolecularWeight: 291.756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NC(=CS3)CCl

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NC(=CS3)CCl

InChI

InChI=1S/C13H10ClN3OS/c14-5-10-8-19-12(16-10)7-17-13(18)11-4-2-1-3-9(11)6-15-17/h1-4,6,8H,5,7H2