2-[(4-bromophenyl)methylsulfanyl]ethanamine; butanedioic acid

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]ethanamine; butanedioic acid Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]ethanamine; succinic acid CAS Name: 2-[(4-bromophenyl)methylthio]ethanamine; butanedioic acid IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]ethanamine; butanedioic acid Traditional Name: 2-[(4-bromobenzyl)thio]ethylamine; succinic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCN)Br.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCCN)Br.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C9H12BrNS.C4H6O4/c10-9-3-1-8(2-4-9)7-12-6-5-11;5-3(6)1-2-4(7)8/h1-4H,5-7,11H2;1-2H2,(H,5,6)(H,7,8)