4-[2-[[(2R)-1,1-diphenylpropan-2-yl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[[(2R)-1,1-diphenylpropan-2-yl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[(1R)-1-methyl-2,2-diphenyl-ethyl]amino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[(2R)-1,1-diphenylpropan-2-yl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[[(2R)-1,1-diphenylpropan-2-yl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[[(1R)-1-methyl-2,2-diphenyl-ethyl]amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C22H25N4OS- MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NC(C)C(C2=CC=CC=C2)C3=CC=CC=C3)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)N[C@H](C)C(C2=CC=CC=C2)C3=CC=CC=C3)[S-]

InChI

InChI=1S/C22H26N4OS/c1-3-10-19-24-25-22(28)26(19)15-20(27)23-16(2)21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16,21H,3,10,15H2,1-2H3,(H,23,27)(H,25,28)/p-1/t16-/m1/s1