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

Systemtic Name: 1-[[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-(1,3-benzothiazol-2-ylmethylthio)-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-(1,3-benzothiazol-2-ylmethylthio)-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C22H22N6OS2 MolecularWeight: 450.57968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CC=CC=N3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CC=CC=N3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N6OS2/c29-21-11-2-1-7-13-27(21)14-19-25-26-22(28(19)18-10-5-6-12-23-18)30-15-20-24-16-8-3-4-9-17(16)31-20/h3-6,8-10,12H,1-2,7,11,13-15H2