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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

InChI

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