[azanyl-(phenylmethylsulfanyl)methylidene]azanium phosphate

Systemtic Name: [azanyl-(phenylmethylsulfanyl)methylidene]azanium phosphate Openeye Name: [amino(benzylsulfanyl)methylene]ammonium phosphate CAS Name: [amino-(phenylmethylthio)methylidene]ammonium phosphate IUPAC Name: [amino(benzylsulfanyl)methylidene]azanium phosphate Traditional Name: [amino-(benzylthio)methylene]ammonium phosphate Formula: C24H33N6O4PS3 MolecularWeight: 596.725381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H10N2S.H3O4P/c3*9-8(10)11-6-7-4-2-1-3-5-7;1-5(2,3)4/h3*1-5H,6H2,(H3,9,10);(H3,1,2,3,4)