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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole-3-thione Formula: C20H27FN4O2S2 MolecularWeight: 438.582383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C(=S)N(C(=N1)C2=CC=CC=C2F)C3CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CCCCN(CN1C(=S)N(C(=N1)C2=CC=CC=C2F)C3CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H27FN4O2S2/c1-2-3-11-23(16-10-12-29(26,27)13-16)14-24-20(28)25(15-8-9-15)19(22-24)17-6-4-5-7-18(17)21/h4-7,15-16H,2-3,8-14H2,1H3