1-[[5-(1,3-benzothiazol-2-ylsulfanyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[5-(1,3-benzothiazol-2-ylsulfanyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-(1,3-benzothiazol-2-ylsulfanyl)-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-(1,3-benzothiazol-2-ylthio)-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-(1,3-benzothiazol-2-ylsulfanyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-(1,3-benzothiazol-2-ylthio)-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C19H16N6OS2 MolecularWeight: 408.49994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H16N6OS2/c26-17-9-5-11-24(17)12-16-22-23-18(25(16)15-8-3-4-10-20-15)28-19-21-13-6-1-2-7-14(13)27-19/h1-4,6-8,10H,5,9,11-12H2