N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-isobutyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-(2-methylpropyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-isobutyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H27N5O3S2/c1-17(2)14-27(20-10-13-33(30,31)16-20)21(29)15-32-23-26-25-22(18-8-11-24-12-9-18)28(23)19-6-4-3-5-7-19/h3-9,11-12,17,20H,10,13-16H2,1-2H3