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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C18H27N5O2S2 MolecularWeight: 409.56928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C(=S)N(C(=N1)C2=CC=NC=C2)CC)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN(CN1C(=S)N(C(=N1)C2=CC=NC=C2)CC)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H27N5O2S2/c1-3-5-11-21(16-8-12-27(24,25)13-16)14-23-18(26)22(4-2)17(20-23)15-6-9-19-10-7-15/h6-7,9-10,16H,3-5,8,11-14H2,1-2H3