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

Systemtic Name: [azanyl-(phenylmethylsulfanyl)methylidene]azanium; 4-methylbenzenesulfinate Openeye Name: [amino(benzylsulfanyl)methylene]ammonium; 4-methylbenzenesulfinate CAS Name: [amino-(phenylmethylthio)methylidene]ammonium; 4-methylbenzenesulfinate IUPAC Name: [amino(benzylsulfanyl)methylidene]azanium; 4-methylbenzenesulfinate Traditional Name: [amino-(benzylthio)methylene]ammonium; 4-methylbenzenesulfinate Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2S.C7H8O2S/c9-8(10)11-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)10(8)9/h1-5H,6H2,(H3,9,10);2-5H,1H3,(H,8,9)