2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3CCCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3CCCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H28N4O3S/c1-15(20(26)24-11-3-4-12-24)29-21-23-22-19(16-7-9-17(27-2)10-8-16)25(21)14-18-6-5-13-28-18/h7-10,15,18H,3-6,11-14H2,1-2H3