2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=CC=C3)C4CCS(=O)(=O)C4

Isomeric SMILES

CN(CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=CC=C3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C19H21N5O2S2/c1-22(17-9-12-28(25,26)13-17)14-23-19(27)24(16-5-3-2-4-6-16)18(21-23)15-7-10-20-11-8-15/h2-8,10-11,17H,9,12-14H2,1H3