4-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 4-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 4-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 4-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 4-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)O

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)