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

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(2-furyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(2-furanyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(2-furyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C20H22N4O2S/c25-18(23-11-4-5-12-23)15-27-20-22-21-19(17-9-6-14-26-17)24(20)13-10-16-7-2-1-3-8-16/h1-3,6-9,14H,4-5,10-13,15H2