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

Systemtic Name: 4-[3-(diphenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-(3-benzhydryl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 4-[3-(diphenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-(3-benzhydryl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-(3-benzhydryl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17N3O2S/c26-21(27)17-11-13-18(14-12-17)25-20(23-24-22(25)28)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,24,28)(H,26,27)