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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2S/c1-15(20(27)25-13-3-4-14-25)29-21-24-23-19(16-9-11-22-12-10-16)26(21)17-5-7-18(28-2)8-6-17/h5-12,15H,3-4,13-14H2,1-2H3