4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C18H16N4S MolecularWeight: 320.41144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4S/c1-2-22-17(16-6-4-3-5-7-16)20-21-18(22)23-13-15-10-8-14(12-19)9-11-15/h3-11H,2,13H2,1H3