4-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-3-oxidanidyl-1,3-thiazol-3-ium

Systemtic Name: 4-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-3-oxidanidyl-1,3-thiazol-3-ium Openeye Name: 4-(4-chlorophenyl)-2-(2-methylallylsulfanyl)-3-oxido-thiazol-3-ium CAS Name: 4-(4-chlorophenyl)-2-(2-methylprop-2-enylthio)-3-oxidothiazol-3-ium IUPAC Name: 4-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-3-oxido-1,3-thiazol-3-ium Traditional Name: 4-(4-chlorophenyl)-2-(2-methylallylthio)-3-oxido-thiazol-3-ium Formula: C13H12ClNOS2 MolecularWeight: 297.82348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=[N+](C(=CS1)C2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CC(=C)CSC1=[N+](C(=CS1)C2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C13H12ClNOS2/c1-9(2)7-17-13-15(16)12(8-18-13)10-3-5-11(14)6-4-10/h3-6,8H,1,7H2,2H3