4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H15N5OS MolecularWeight: 373.431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C20H15N5OS/c21-12-15-3-5-16(6-4-15)14-27-20-24-23-19(17-7-9-22-10-8-17)25(20)13-18-2-1-11-26-18/h1-11H,13-14H2