4-[(1-azanyl-2-azanylidene-ethyl)amino]thiobenzate; cyclohexatriene; phosphate

Systemtic Name: 4-[(1-azanyl-2-azanylidene-ethyl)amino]thiobenzate; cyclohexatriene; phosphate Openeye Name: 4-[(1-amino-2-imino-ethyl)amino]thiobenzate; cyclohexatriene; phosphate CAS Name: 4-[(1-amino-2-iminoethyl)amino]thiobenzate; cyclohexatriene; phosphate IUPAC Name: 4-[(1-amino-2-iminoethyl)amino]thiobenzate; cyclohexatriene; phosphate Traditional Name: 4-[(1-amino-2-imino-ethyl)amino]thiobenzate; cyclohexatriene; phosphate Formula: C15H15N3O5PS-4 MolecularWeight: 380.335461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C]C=C1.C1=CC(=CC=C1C(=S)[O-])NC(C=N)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=[C]C=C1.C1=CC(=CC=C1C(=S)[O-])NC(C=N)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H11N3OS.C6H5.H3O4P/c10-5-8(11)12-7-3-1-6(2-4-7)9(13)14;1-2-4-6-5-3-1;1-5(2,3)4/h1-5,8,10,12H,11H2,(H,13,14);1-5H;(H3,1,2,3,4)/p-4