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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC(=CC=C3)OC)SCC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC(=CC=C3)OC)SCC(=O)N4CCCC4

InChI

InChI=1S/C20H22N4O3S/c1-14-17(8-11-27-14)19-21-22-20(28-13-18(25)23-9-3-4-10-23)24(19)15-6-5-7-16(12-15)26-2/h5-8,11-12H,3-4,9-10,13H2,1-2H3