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

Systemtic Name: 4-[2-[(2-methyl-2-phenyl-propyl)amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(2-methyl-2-phenyl-propyl)amino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(2-methyl-2-phenylpropyl)amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(2-methyl-2-phenylpropyl)amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(neophylamino)ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C17H23N4OS- MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4OS/c1-4-8-14-19-20-16(23)21(14)11-15(22)18-12-17(2,3)13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,18,22)(H,20,23)/p-1