5-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-[2-keto-2-(p-anisylamino)ethyl]-1,2,4-triazole-3-thiolate Formula: C19H19N4O2S- MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CC2=NN=C(N2CC3=CC=CC=C3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CC2=NN=C(N2CC3=CC=CC=C3)[S-]

InChI

InChI=1S/C19H20N4O2S/c1-25-16-9-7-14(8-10-16)12-20-18(24)11-17-21-22-19(26)23(17)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,24)(H,22,26)/p-1