N-[1,1-bis(oxidanylidene)thian-4-yl]-4-bromanyl-1-propyl-pyrrole-2-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-4-bromanyl-1-propyl-pyrrole-2-carboxamide Openeye Name: 4-bromo-N-(1,1-dioxothian-4-yl)-1-propyl-pyrrole-2-carboxamide CAS Name: 4-bromo-N-(1,1-dioxo-4-thianyl)-1-propyl-2-pyrrolecarboxamide IUPAC Name: 4-bromo-N-(1,1-dioxothian-4-yl)-1-propylpyrrole-2-carboxamide Traditional Name: 4-bromo-N-(1,1-diketothian-4-yl)-1-propyl-pyrrole-2-carboxamide Formula: C13H19BrN2O3S MolecularWeight: 363.27056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NC2CCS(=O)(=O)CC2)Br

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NC2CCS(=O)(=O)CC2)Br

InChI

InChI=1S/C13H19BrN2O3S/c1-2-5-16-9-10(14)8-12(16)13(17)15-11-3-6-20(18,19)7-4-11/h8-9,11H,2-7H2,1H3,(H,15,17)