N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[1-(furan-3-carbonyl)-4-piperidyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[1-(3-furoyl)-4-piperidyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C(=O)C4=COC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C(=O)C4=COC=C4

InChI

InChI=1S/C20H21N5O3S/c26-18(15-3-1-14(2-4-15)12-29-20-21-13-22-24-20)23-17-5-8-25(9-6-17)19(27)16-7-10-28-11-16/h1-4,7,10-11,13,17H,5-6,8-9,12H2,(H,23,26)(H,21,22,24)