5-[3,5-bis(bromanyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: 5-[3,5-bis(bromanyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Openeye Name: 5-(3,5-dibromophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 5-[(3,5-dibromophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxamide IUPAC Name: 5-(3,5-dibromophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Traditional Name: 5-[(3,5-dibromophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide Formula: C21H21Br2N3OS MolecularWeight: 523.28394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Br)Br)C(C)C)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Br)Br)C(C)C)C(=O)N

InChI

InChI=1S/C21H21Br2N3OS/c1-12(2)18-19(20(24)27)13(3)26(11-14-4-6-25-7-5-14)21(18)28-17-9-15(22)8-16(23)10-17/h4-10,12H,11H2,1-3H3,(H2,24,27)