1-[2-(5-bromanylthiophen-2-yl)sulfanylphenyl]-N,N-dimethyl-methanamine; (Z)-but-2-enedioate

Systemtic Name: 1-[2-(5-bromanylthiophen-2-yl)sulfanylphenyl]-N,N-dimethyl-methanamine; (Z)-but-2-enedioate Openeye Name: 1-[2-[(5-bromo-2-thienyl)sulfanyl]phenyl]-N,N-dimethyl-methanamine; (Z)-but-2-enedioate CAS Name: 1-[2-[(5-bromo-2-thiophenyl)thio]phenyl]-N,N-dimethylmethanamine; (Z)-2-butenedioate IUPAC Name: 1-[2-(5-bromothiophen-2-yl)sulfanylphenyl]-N,N-dimethylmethanamine; (Z)-but-2-enedioate Traditional Name: [2-[(5-bromo-2-thienyl)thio]benzyl]-dimethyl-amine maleate Formula: C17H16BrNO4S2-2 MolecularWeight: 442.34724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=CC=C(S2)Br.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=CC=C(S2)Br.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C13H14BrNS2.C4H4O4/c1-15(2)9-10-5-3-4-6-11(10)16-13-8-7-12(14)17-13;5-3(6)1-2-4(7)8/h3-8H,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-