1-[[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[(2-methyl-3-nitrophenyl)methylthio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[(2-methyl-3-nitro-benzyl)thio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

InChI

InChI=1S/C20H20N6O3S/c1-14-15(6-4-7-16(14)26(28)29)13-30-20-23-22-18(12-24-11-5-9-19(24)27)25(20)17-8-2-3-10-21-17/h2-4,6-8,10H,5,9,11-13H2,1H3