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

Systemtic Name: methyl 5-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-15-19(21(26)27-2)13-18(28-15)14-29-22-23-20(16-9-5-3-6-10-16)25(24-22)17-11-7-4-8-12-17/h4,7-8,11-13,16H,3,5-6,9-10,14H2,1-2H3