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

Systemtic Name: 4-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 4-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 4-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 4-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C12H11N3O2S/c16-11(17)8-3-5-9(6-4-8)15-10(7-1-2-7)13-14-12(15)18/h3-7H,1-2H2,(H,14,18)(H,16,17)