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

Systemtic Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzonitrile CAS Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]benzonitrile IUPAC Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzonitrile Traditional Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]benzonitrile Formula: C11H10N4OS MolecularWeight: 246.2883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCSC2=NC=NN2

InChI

InChI=1S/C11H10N4OS/c12-7-9-1-3-10(4-2-9)16-5-6-17-11-13-8-14-15-11/h1-4,8H,5-6H2,(H,13,14,15)