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

Systemtic Name: ethyl 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

InChI

InChI=1S/C22H26N4O4S/c1-3-29-20(27)16-11-14-30-19(16)15-31-22-24-23-21(25-12-7-4-8-13-25)26(22)17-9-5-6-10-18(17)28-2/h5-6,9-11,14H,3-4,7-8,12-13,15H2,1-2H3