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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=C(OC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=C(OC=C4)C

InChI

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