4-chloranyl-2-(phenylmethyl)-5-sulfanyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-2-(phenylmethyl)-5-sulfanyl-pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-sulfanyl-pyridazin-3-one CAS Name: 4-chloro-5-mercapto-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-sulfanylpyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-mercapto-pyridazin-3-one Formula: C11H9ClN2OS MolecularWeight: 252.71996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)S)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)S)Cl

InChI

InChI=1S/C11H9ClN2OS/c12-10-9(16)6-13-14(11(10)15)7-8-4-2-1-3-5-8/h1-6,16H,7H2