4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzonitrile CAS Name: 4-[mercapto(1H-1,2,4-triazol-5-yl)methyl]benzonitrile IUPAC Name: 4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Traditional Name: 4-[mercapto(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Formula: C10H8N4S MolecularWeight: 216.26232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=NC=NN2)S

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=NC=NN2)S

InChI

InChI=1S/C10H8N4S/c11-5-7-1-3-8(4-2-7)9(15)10-12-6-13-14-10/h1-4,6,9,15H,(H,12,13,14)