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

Systemtic Name: 1-[[5-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(2-phenylthiazol-5-yl)methylsulfanyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(2-phenyl-5-thiazolyl)methylthio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(2-phenylthiazol-5-yl)methylthio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C24H24N6OS2 MolecularWeight: 476.61696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CC=CC=N3)SCC4=CN=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CC=CC=N3)SCC4=CN=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6OS2/c31-22-12-5-2-8-14-29(22)16-21-27-28-24(30(21)20-11-6-7-13-25-20)32-17-19-15-26-23(33-19)18-9-3-1-4-10-18/h1,3-4,6-7,9-11,13,15H,2,5,8,12,14,16-17H2