2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(2-furfuryl)-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-16-9-11-25(12-10-16)20-23-24-21(26(20)14-18-8-5-13-28-18)29-15-19(27)22-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,27)