3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C13H12N3O2S2- MolecularWeight: 306.38328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN=C(S2)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CC1NC2=NN=C(S2)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C13H13N3O2S2/c17-11(18)9-3-1-2-8(6-9)7-19-13-16-15-12(20-13)14-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,15)(H,17,18)/p-1