4-(3-propyl-5-sulfanidyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 4-(3-propyl-5-sulfanidyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 4-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)benzoate CAS Name: 4-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)benzoate IUPAC Name: 4-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)benzoate Formula: C12H11N3O2S-2 MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=C(C=C2)C(=O)[O-])[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=C(C=C2)C(=O)[O-])[S-]

InChI

InChI=1S/C12H13N3O2S/c1-2-3-10-13-14-12(18)15(10)9-6-4-8(5-7-9)11(16)17/h4-7H,2-3H2,1H3,(H,14,18)(H,16,17)/p-2