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

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-methylpiperidino)ethanone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

InChI

InChI=1S/C21H24N4O2S/c1-15-8-6-7-12-24(15)19(26)14-28-21-23-22-20(18-11-13-27-16(18)2)25(21)17-9-4-3-5-10-17/h3-5,9-11,13,15H,6-8,12,14H2,1-2H3