2-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-phenyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-phenyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-phenyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C25H17N5S MolecularWeight: 419.50098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C5=CC=CC=C5)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C5=CC=CC=C5)SCC#N

InChI

InChI=1S/C25H17N5S/c26-15-16-31-25-29-28-24(30(25)19-11-5-2-6-12-19)21-17-23(18-9-3-1-4-10-18)27-22-14-8-7-13-20(21)22/h1-14,17H,16H2