(5S)-5-methyl-4-methylsulfanyl-1-(phenylmethyl)-2,5-dihydro-1H-pyrrol-1-ium-3-carbothioamide

Systemtic Name: (5S)-5-methyl-4-methylsulfanyl-1-(phenylmethyl)-2,5-dihydro-1H-pyrrol-1-ium-3-carbothioamide Openeye Name: (5S)-1-benzyl-5-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyrrol-1-ium-3-carbothioamide CAS Name: (5S)-5-methyl-4-(methylthio)-1-(phenylmethyl)-2,5-dihydro-1H-pyrrol-1-ium-3-carbothioamide IUPAC Name: (5S)-1-benzyl-5-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyrrol-1-ium-3-carbothioamide Traditional Name: (5S)-1-benzyl-5-methyl-4-(methylthio)-3-pyrrolin-1-ium-3-carbothioamide Formula: C14H19N2S2+ MolecularWeight: 279.44406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C[NH+]1CC2=CC=CC=C2)C(=S)N)SC

Isomeric SMILES

C[C@H]1C(=C(C[NH+]1CC2=CC=CC=C2)C(=S)N)SC

InChI

InChI=1S/C14H18N2S2/c1-10-13(18-2)12(14(15)17)9-16(10)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,15,17)/p+1/t10-/m0/s1