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

Systemtic Name: 2-[3-(1-adamantyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[3-(1-adamantyl)-4-allyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[3-(1-adamantyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[3-(1-adamantyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[3-(1-adamantyl)-4-allyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CC(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)CC(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H23N3O2S/c1-2-3-19-15(18-20(16(19)23)10-14(21)22)17-7-11-4-12(8-17)6-13(5-11)9-17/h2,11-13H,1,3-10H2,(H,21,22)