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

Systemtic Name: 2-[3-(1-adamantyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[3-(1-adamantyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[3-(1-adamantyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[3-(1-adamantyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CC(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=NN(C1=S)CC(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H21N3O2S/c1-17-13(16-18(14(17)21)8-12(19)20)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-8H2,1H3,(H,19,20)