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

Systemtic Name: 4-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzonitrile Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H12N4OS/c18-10-12-6-8-13(9-7-12)11-23-17-19-16(22)15(20-21-17)14-4-2-1-3-5-14/h1-9H,11H2,(H,19,21,22)