4-azanyl-2-[2-(5-azanyl-2-sulfanyl-phenyl)ethyl]benzenethiol hydrate

Systemtic Name: 4-azanyl-2-[2-(5-azanyl-2-sulfanyl-phenyl)ethyl]benzenethiol hydrate Openeye Name: 4-amino-2-[2-(5-amino-2-sulfanyl-phenyl)ethyl]benzenethiol hydrate CAS Name: 4-amino-2-[2-(5-amino-2-mercaptophenyl)ethyl]benzenethiol hydrate IUPAC Name: 4-amino-2-[2-(5-amino-2-sulfanylphenyl)ethyl]benzenethiol hydrate Traditional Name: 4-amino-2-[2-(5-amino-2-mercapto-phenyl)ethyl]benzenethiol hydrate Formula: C28H34N4OS4 MolecularWeight: 570.85576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)CCC2=C(C=CC(=C2)N)S)S.C1=CC(=C(C=C1N)CCC2=C(C=CC(=C2)N)S)S.O

Isomeric SMILES

C1=CC(=C(C=C1N)CCC2=C(C=CC(=C2)N)S)S.C1=CC(=C(C=C1N)CCC2=C(C=CC(=C2)N)S)S.O

InChI

InChI=1S/2C14H16N2S2.H2O/c2*15-11-3-5-13(17)9(7-11)1-2-10-8-12(16)4-6-14(10)18;/h2*3-8,17-18H,1-2,15-16H2;1H2