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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C15H22N4O2S3 MolecularWeight: 386.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C(=S)N=C(N1)C2=CC=CS2)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN(CN1C(=S)N=C(N1)C2=CC=CS2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C15H22N4O2S3/c1-2-3-7-18(12-6-9-24(20,21)10-12)11-19-15(22)16-14(17-19)13-5-4-8-23-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3,(H,16,17,22)