[azanyl-[(3-bromophenyl)methylsulfanyl]methylidene]-(furan-2-ylmethyl)azanium

Systemtic Name: [azanyl-[(3-bromophenyl)methylsulfanyl]methylidene]-(furan-2-ylmethyl)azanium Openeye Name: [amino-[(3-bromophenyl)methylsulfanyl]methylene]-(2-furylmethyl)ammonium CAS Name: [amino-[(3-bromophenyl)methylthio]methylidene]-(2-furanylmethyl)ammonium IUPAC Name: [amino-[(3-bromophenyl)methylsulfanyl]methylidene]-(furan-2-ylmethyl)azanium Traditional Name: [amino-[(3-bromobenzyl)thio]methylene]-(2-furfuryl)ammonium Formula: C13H14BrN2OS+ MolecularWeight: 326.23206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC(=[NH+]CC2=CC=CO2)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC(=[NH+]CC2=CC=CO2)N

InChI

InChI=1S/C13H13BrN2OS/c14-11-4-1-3-10(7-11)9-18-13(15)16-8-12-5-2-6-17-12/h1-7H,8-9H2,(H2,15,16)/p+1