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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CO4

InChI

InChI=1S/C21H16N4OS/c22-13-17-9-4-5-10-18(17)15-27-21-24-23-20(19-11-6-12-26-19)25(21)14-16-7-2-1-3-8-16/h1-12H,14-15H2