4,5-bis(methylsulfanyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4,5-bis(methylsulfanyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4,5-bis(methylsulfanyl)pyridazin-3-one CAS Name: 4,5-bis(methylthio)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4,5-bis(methylsulfanyl)pyridazin-3-one Traditional Name: 2-benzyl-4,5-bis(methylthio)pyridazin-3-one Formula: C13H14N2OS2 MolecularWeight: 278.39306

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)SC

Isomeric SMILES

CSC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)SC

InChI

InChI=1S/C13H14N2OS2/c1-17-11-8-14-15(13(16)12(11)18-2)9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3