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

Systemtic Name: methyl 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

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