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

Systemtic Name: methyl 2-methyl-5-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(4-phenyl-5-piperidino-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=C(C=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)C(=O)OC

InChI

InChI=1S/C21H24N4O3S/c1-15-18(19(26)27-2)13-17(28-15)14-29-21-23-22-20(24-11-7-4-8-12-24)25(21)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3