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

Systemtic Name: 1-[[5-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

InChI

InChI=1S/C21H21N5O3S/c1-29-17-8-3-2-7-15(17)16(27)14-30-21-24-23-19(13-25-12-6-10-20(25)28)26(21)18-9-4-5-11-22-18/h2-5,7-9,11H,6,10,12-14H2,1H3