4-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]methyl]benzonitrile Formula: C11H8N4O2S MolecularWeight: 260.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=O)NC2=O)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=O)NC2=O)C#N

InChI

InChI=1S/C11H8N4O2S/c12-5-7-1-3-8(4-2-7)6-18-10-9(16)13-11(17)15-14-10/h1-4H,6H2,(H2,13,15,16,17)