3-(2-azanyl-4-bromanyl-phenyl)sulfanylazepan-2-one

Systemtic Name: 3-(2-azanyl-4-bromanyl-phenyl)sulfanylazepan-2-one Openeye Name: 3-(2-amino-4-bromo-phenyl)sulfanylazepan-2-one CAS Name: 3-[(2-amino-4-bromophenyl)thio]-2-azepanone IUPAC Name: 3-(2-amino-4-bromophenyl)sulfanylazepan-2-one Traditional Name: 3-[(2-amino-4-bromo-phenyl)thio]azepan-2-one Formula: C12H15BrN2OS MolecularWeight: 315.2293

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=C(C=C(C=C2)Br)N

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C12H15BrN2OS/c13-8-4-5-10(9(14)7-8)17-11-3-1-2-6-15-12(11)16/h4-5,7,11H,1-3,6,14H2,(H,15,16)