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

Systemtic Name: ethyl 2-[3-(1-adamantyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Openeye Name: ethyl 2-[3-(1-adamantyl)-4-allyl-5-thioxo-1,2,4-triazol-1-yl]propanoate CAS Name: 2-[3-(1-adamantyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-adamantyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Traditional Name: 2-[3-(1-adamantyl)-4-allyl-5-thioxo-1,2,4-triazol-1-yl]propionic acid ethyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C(=S)N(C(=N1)C23CC4CC(C2)CC(C4)C3)CC=C

Isomeric SMILES

CCOC(=O)C(C)N1C(=S)N(C(=N1)C23CC4CC(C2)CC(C4)C3)CC=C

InChI

InChI=1S/C20H29N3O2S/c1-4-6-22-18(21-23(19(22)26)13(3)17(24)25-5-2)20-10-14-7-15(11-20)9-16(8-14)12-20/h4,13-16H,1,5-12H2,2-3H3