[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H25FN4O3S MolecularWeight: 480.554403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NN(C(=N4)C5=CC=CS5)C6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NN(C(=N4)C5=CC=CS5)C6=CC=C(C=C6)F

InChI

InChI=1S/C25H25FN4O3S/c26-18-3-5-19(6-4-18)30-23(20-2-1-7-34-20)27-22(29-30)24(32)33-14-21(31)28-25-11-15-8-16(12-25)10-17(9-15)13-25/h1-7,15-17H,8-14H2,(H,28,31)