1-[[5-[(2-ethyl-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-ethyl-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-ethylthiazol-4-yl)methylsulfanyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(2-ethyl-4-thiazolyl)methylthio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(2-ethyl-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-ethylthiazol-4-yl)methylthio]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H24N6OS2 MolecularWeight: 428.57416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CSC2=NN=C(N2C3=CN=CC=C3)CN4CCCCCC4=O

Isomeric SMILES

CCC1=NC(=CS1)CSC2=NN=C(N2C3=CN=CC=C3)CN4CCCCCC4=O

InChI

InChI=1S/C20H24N6OS2/c1-2-18-22-15(13-28-18)14-29-20-24-23-17(26(20)16-7-6-9-21-11-16)12-25-10-5-3-4-8-19(25)27/h6-7,9,11,13H,2-5,8,10,12,14H2,1H3