5-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid CAS Name: 5-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid IUPAC Name: 5-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid Traditional Name: 5-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid Formula: C16H10ClN3O4S MolecularWeight: 375.7863

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C16H10ClN3O4S/c17-11-3-2-9(6-10(11)15(21)22)20-14(18-19-16(20)25)8-1-4-12-13(5-8)24-7-23-12/h1-6H,7H2,(H,19,25)(H,21,22)