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

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O2S/c1-16-18(10-14-27-16)20-22-23-21(28-15-19(26)24-11-5-6-12-24)25(20)13-9-17-7-3-2-4-8-17/h2-4,7-8,10,14H,5-6,9,11-13,15H2,1H3