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

Systemtic Name: methyl 4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O3S/c1-15-19(12-13-28-15)20-23-24-22(25(20)18-6-4-3-5-7-18)29-14-16-8-10-17(11-9-16)21(26)27-2/h3-13H,14H2,1-2H3