3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]benzenecarbothioamide

Systemtic Name: 3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]benzenecarbothioamide Openeye Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]benzenecarbothioamide CAS Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]benzenecarbothioamide IUPAC Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(3,6-diketo-1H-pyridazin-2-yl)methyl]thiobenzamide Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2S/c13-12(18)9-3-1-2-8(6-9)7-15-11(17)5-4-10(16)14-15/h1-6H,7H2,(H2,13,18)(H,14,16)