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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-4-phenyl-5-piperidin-1-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-phenyl-5-(1-piperidyl)-1,2,4-triazole-3-thione CAS Name: 2-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-4-phenyl-5-(1-piperidinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-phenyl-5-piperidin-1-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-4-phenyl-5-piperidino-1,2,4-triazole-3-thione Formula: C22H33N5O2S2 MolecularWeight: 463.65972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C(=S)N(C(=N1)N2CCCCC2)C3=CC=CC=C3)C4CCS(=O)(=O)C4

Isomeric SMILES

CCCCN(CN1C(=S)N(C(=N1)N2CCCCC2)C3=CC=CC=C3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C22H33N5O2S2/c1-2-3-13-25(20-12-16-31(28,29)17-20)18-26-22(30)27(19-10-6-4-7-11-19)21(23-26)24-14-8-5-9-15-24/h4,6-7,10-11,20H,2-3,5,8-9,12-18H2,1H3