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

Systemtic Name: 1-[[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-(2-morpholino-2-oxo-ethyl)sulfanyl-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(2-keto-2-morpholino-ethyl)thio]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SCC(=O)N4CCOCC4

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C20H26N6O3S/c27-18-6-2-1-3-8-25(18)14-17-22-23-20(26(17)16-5-4-7-21-13-16)30-15-19(28)24-9-11-29-12-10-24/h4-5,7,13H,1-3,6,8-12,14-15H2