4-(phenylmethylsulfanyl)-1,3,2-dithiazol-1-ium bromide

Systemtic Name: 4-(phenylmethylsulfanyl)-1,3,2-dithiazol-1-ium bromide Openeye Name: 4-benzylsulfanyl-1,3,2-dithiazol-1-ium bromide CAS Name: 4-(phenylmethylthio)-1,3,2-dithiazol-1-ium bromide IUPAC Name: 4-benzylsulfanyl-1,3,2-dithiazol-1-ium bromide Traditional Name: 4-(benzylthio)-1,3,2-dithiazol-1-ium bromide Formula: C9H8BrNS3 MolecularWeight: 306.26552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C[S+]=NS2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C[S+]=NS2.[Br-]

InChI

InChI=1S/C9H8NS3.BrH/c1-2-4-8(5-3-1)6-11-9-7-12-10-13-9;/h1-5,7H,6H2;1H/q+1;/p-1