5-[[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[[2-(N-isopropylanilino)-2-keto-ethyl]thio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C20H21N4OS2- MolecularWeight: 397.53694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSCC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSCC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C20H22N4OS2/c1-15(2)23(16-9-5-3-6-10-16)19(25)14-27-13-18-21-22-20(26)24(18)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,26)/p-1