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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S2/c1-2-3-11-22(17-8-12-28(25,26)13-17)14-23-19(27)24(16-4-5-16)18(21-23)15-6-9-20-10-7-15/h6-7,9-10,16-17H,2-5,8,11-14H2,1H3