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

Systemtic Name: methyl 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=CO3

InChI

InChI=1S/C16H15N3O3S/c1-19-14(13-4-3-9-22-13)17-18-16(19)23-10-11-5-7-12(8-6-11)15(20)21-2/h3-9H,10H2,1-2H3