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

Systemtic Name: 1-[[5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(2-phenylthiazol-4-yl)methylsulfanyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(2-phenyl-4-thiazolyl)methylthio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(2-phenylthiazol-4-yl)methylthio]-4-(3-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=CN=CC=C3)SCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SCC4=CSC(=N4)C5=CC=CC=C5

InChI

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