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

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(2,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=NC=C4)C

InChI

InChI=1S/C21H23N5OS/c1-15-5-6-18(16(2)13-15)26-20(17-7-9-22-10-8-17)23-24-21(26)28-14-19(27)25-11-3-4-12-25/h5-10,13H,3-4,11-12,14H2,1-2H3