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

Systemtic Name: 4-[2-[[(2R)-3-methyl-2-phenyl-butyl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[(2R)-3-methyl-2-phenyl-butyl]amino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[(2R)-3-methyl-2-phenylbutyl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[[(2R)-3-methyl-2-phenylbutyl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[[(2R)-3-methyl-2-phenyl-butyl]amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C18H25N4OS- MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-4-8-16-20-21-18(24)22(16)12-17(23)19-11-15(13(2)3)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3,(H,19,23)(H,21,24)/p-1/t15-/m1/s1