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

Systemtic Name: 1-[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrolidin-2-one Openeye Name: 1-[2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one CAS Name: 1-[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one Traditional Name: 1-[2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-pyrrolidone Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3=O)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3=O)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O2S/c1-2-15-5-7-17(8-6-15)26-20(16-9-11-22-12-10-16)23-24-21(26)29-14-19(28)25-13-3-4-18(25)27/h5-12H,2-4,13-14H2,1H3