N-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(3-bromophenyl)-2-methyl-N-propyl-pyridine-3-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(3-bromophenyl)-2-methyl-N-propyl-pyridine-3-carboxamide Openeye Name: 6-(3-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propyl-pyridine-3-carboxamide CAS Name: 6-(3-bromophenyl)-N-(1,1-dioxo-3-thiolanyl)-2-methyl-N-propyl-3-pyridinecarboxamide IUPAC Name: 6-(3-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpyridine-3-carboxamide Traditional Name: 6-(3-bromophenyl)-N-(1,1-diketothiolan-3-yl)-2-methyl-N-propyl-nicotinamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=C(N=C(C=C2)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=C(N=C(C=C2)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H23BrN2O3S/c1-3-10-23(17-9-11-27(25,26)13-17)20(24)18-7-8-19(22-14(18)2)15-5-4-6-16(21)12-15/h4-8,12,17H,3,9-11,13H2,1-2H3