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

Systemtic Name: methyl 5-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H18N4O3S/c1-27-20(26)18-8-7-17(28-18)14-29-21-24-23-19(16-9-11-22-12-10-16)25(21)13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3