2-[[4-(3-methoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC(=CC=C3)OC)SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC(=CC=C3)OC)SCC(=O)N4CCCCC4

InChI

InChI=1S/C21H24N4O3S/c1-15-18(9-12-28-15)20-22-23-21(25(20)16-7-6-8-17(13-16)27-2)29-14-19(26)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3