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

Systemtic Name: methyl 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CO3)C(=O)OC)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CO3)C(=O)OC)N4CCCCC4

InChI

InChI=1S/C21H24N4O3S/c1-15-6-8-16(9-7-15)25-20(24-11-4-3-5-12-24)22-23-21(25)29-14-18-17(10-13-28-18)19(26)27-2/h6-10,13H,3-5,11-12,14H2,1-2H3