4-[3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propoxy]benzoate Formula: C12H12N3O3S2- MolecularWeight: 310.37198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=C(S2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=C(S2)N

InChI

InChI=1S/C12H13N3O3S2/c13-11-14-15-12(20-11)19-7-1-6-18-9-4-2-8(3-5-9)10(16)17/h2-5H,1,6-7H2,(H2,13,14)(H,16,17)/p-1