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

Systemtic Name: 4-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-keto-2H-1,2,4-triazin-3-yl)thio]methyl]benzonitrile Formula: C11H8N4OS MolecularWeight: 244.27242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C=NN2)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C=NN2)C#N

InChI

InChI=1S/C11H8N4OS/c12-5-8-1-3-9(4-2-8)7-17-11-14-10(16)6-13-15-11/h1-4,6H,7H2,(H,14,15,16)