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

Systemtic Name: 4-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-benzyl-5-keto-2H-1,2,4-triazin-3-yl)thio]methyl]benzonitrile Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N4OS/c19-11-14-6-8-15(9-7-14)12-24-18-20-17(23)16(21-22-18)10-13-4-2-1-3-5-13/h1-9H,10,12H2,(H,20,22,23)