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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]-N-(phenylcarbamoyl)acetamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O3S/c28-18(23-19(29)22-16-8-3-1-4-9-16)15-31-21-25-24-20(26-11-5-2-6-12-26)27(21)14-17-10-7-13-30-17/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H2,22,23,28,29)