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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(1,1-dioxothiolan-3-yl)-ethyl-amino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-ethylamino]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(1,1-dioxothiolan-3-yl)-ethylamino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(1,1-diketothiolan-3-yl)-ethyl-amino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S2/c1-2-23(18-10-12-29(26,27)14-18)15-24-20(28)25(17-8-4-3-5-9-17)19(22-24)16-7-6-11-21-13-16/h3-9,11,13,18H,2,10,12,14-15H2,1H3