4-[2-[[(1R)-3,3-dimethyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[[(1R)-3,3-dimethyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[(1R)-3,3-dimethyl-1-phenyl-butyl]amino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[(1R)-3,3-dimethyl-1-phenylbutyl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[[(1R)-3,3-dimethyl-1-phenylbutyl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[[(1R)-3,3-dimethyl-1-phenyl-butyl]amino]-2-keto-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C19H27N4OS- MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NC(CC(C)(C)C)C2=CC=CC=C2)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)N[C@H](CC(C)(C)C)C2=CC=CC=C2)[S-]

InChI

InChI=1S/C19H28N4OS/c1-5-9-16-21-22-18(25)23(16)13-17(24)20-15(12-19(2,3)4)14-10-7-6-8-11-14/h6-8,10-11,15H,5,9,12-13H2,1-4H3,(H,20,24)(H,22,25)/p-1/t15-/m1/s1