3-(3-methylquinoxalin-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(3-methylquinoxalin-2-yl)sulfanylazepan-2-one Openeye Name: 3-(3-methylquinoxalin-2-yl)sulfanylazepan-2-one CAS Name: 3-[(3-methyl-2-quinoxalinyl)thio]-2-azepanone IUPAC Name: 3-(3-methylquinoxalin-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(3-methylquinoxalin-2-yl)thio]azepan-2-one Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SC3CCCCNC3=O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SC3CCCCNC3=O

InChI

InChI=1S/C15H17N3OS/c1-10-15(18-12-7-3-2-6-11(12)17-10)20-13-8-4-5-9-16-14(13)19/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,16,19)