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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCCC4

InChI

InChI=1S/C20H22N4O3S/c1-26-16-7-4-6-15(12-16)19-21-22-20(24(19)13-17-8-5-11-27-17)28-14-18(25)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13-14H2,1H3