1-[[4-ethyl-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(3-methyl-2-quinoxalinyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(3-methylquinoxalin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N=C2C)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N=C2C)CN4CCCCCC4=O

InChI

InChI=1S/C21H26N6OS/c1-3-27-19(13-26-12-8-4-5-11-20(26)28)24-25-21(27)29-14-18-15(2)22-16-9-6-7-10-17(16)23-18/h6-7,9-10H,3-5,8,11-14H2,1-2H3