4-[4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-cinnamylsulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(2-furanylmethyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-(cinnamylthio)-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C21H18N4OS/c1-2-6-17(7-3-1)8-5-15-27-21-24-23-20(18-10-12-22-13-11-18)25(21)16-19-9-4-14-26-19/h1-14H,15-16H2