3-[3-oxidanylidene-5-(2-sulfanylideneethyl)-1,2-diazinan-1-yl]benzenecarbonitrile

Systemtic Name: 3-[3-oxidanylidene-5-(2-sulfanylideneethyl)-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-[3-oxo-5-(2-thioxoethyl)hexahydropyridazin-1-yl]benzonitrile CAS Name: 3-[3-oxo-5-(2-sulfanylideneethyl)-1-diazinanyl]benzonitrile IUPAC Name: 3-[3-oxo-5-(2-sulfanylideneethyl)diazinan-1-yl]benzonitrile Traditional Name: 3-[3-keto-5-(2-thioxoethyl)hexahydropyridazin-1-yl]benzonitrile Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(NC1=O)C2=CC=CC(=C2)C#N)CC=S

Isomeric SMILES

C1C(CN(NC1=O)C2=CC=CC(=C2)C#N)CC=S

InChI

InChI=1S/C13H13N3OS/c14-8-10-2-1-3-12(6-10)16-9-11(4-5-18)7-13(17)15-16/h1-3,5-6,11H,4,7,9H2,(H,15,17)