2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C20H22N4O2S/c1-15(19(25)23-11-5-6-12-23)27-20-22-21-18(17-10-7-13-26-17)24(20)14-16-8-3-2-4-9-16/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3