3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfinic acid

Systemtic Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfinic acid Openeye Name: 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfinic acid CAS Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfinic acid IUPAC Name: 3-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfinic acid Traditional Name: 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfinic acid Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)S(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)S(=O)O

InChI

InChI=1S/C15H13N3O2S2/c19-22(20)13-8-4-7-12(9-13)14-16-17-15(21)18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,21)(H,19,20)