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

Systemtic Name: 2-[3-(1-adamantyl)-4-azanyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[3-(1-adamantyl)-4-amino-5-thioxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[3-(1-adamantyl)-4-amino-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[3-(1-adamantyl)-4-amino-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[3-(1-adamantyl)-4-amino-5-thioxo-1,2,4-triazol-1-yl]acetic acid Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C(=S)N4N)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C(=S)N4N)CC(=O)O

InChI

InChI=1S/C14H20N4O2S/c15-18-12(16-17(13(18)21)7-11(19)20)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7,15H2,(H,19,20)