4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzonitrile CAS Name: 4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]benzonitrile IUPAC Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzonitrile Traditional Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]benzonitrile Formula: C11H8N4OS MolecularWeight: 244.27242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CSC2=NC=NN2

InChI

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