1-[[5-[(2-propyl-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-propyl-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-propylthiazol-4-yl)methylsulfanyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(2-propyl-4-thiazolyl)methylthio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(2-propyl-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-propylthiazol-4-yl)methylthio]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C21H26N6OS2 MolecularWeight: 442.60074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)CSC2=NN=C(N2C3=CN=CC=C3)CN4CCCCCC4=O

Isomeric SMILES

CCCC1=NC(=CS1)CSC2=NN=C(N2C3=CN=CC=C3)CN4CCCCCC4=O

InChI

InChI=1S/C21H26N6OS2/c1-2-7-19-23-16(14-29-19)15-30-21-25-24-18(27(21)17-8-6-10-22-12-17)13-26-11-5-3-4-9-20(26)28/h6,8,10,12,14H,2-5,7,9,11,13,15H2,1H3