[azanyl-(phenylmethylsulfanyl)methylidene]azanium; 4-methylbenzenesulfonate

Systemtic Name: [azanyl-(phenylmethylsulfanyl)methylidene]azanium; 4-methylbenzenesulfonate Openeye Name: [amino(benzylsulfanyl)methylene]ammonium; 4-methylbenzenesulfonate CAS Name: [amino-(phenylmethylthio)methylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: [amino(benzylsulfanyl)methylidene]azanium; 4-methylbenzenesulfonate Traditional Name: [amino-(benzylthio)methylene]ammonium tosylate Formula: C15H18N2O3S2 MolecularWeight: 338.44502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CSC(=[NH2+])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CSC(=[NH2+])N

InChI

InChI=1S/C8H10N2S.C7H8O3S/c9-8(10)11-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6H2,(H3,9,10);2-5H,1H3,(H,8,9,10)