2-[3-(1-adamantyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[3-(1-adamantyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[3-(1-adamantyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[3-(1-adamantyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[3-(1-adamantyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C(=S)N4C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C(=S)N4C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C20H23N3O2S/c24-17(25)12-22-19(26)23(16-4-2-1-3-5-16)18(21-22)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,13-15H,6-12H2,(H,24,25)