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

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-N,2-dimethyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-N,2-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 5-[(3,5-dichlorophenyl)thio]-N,2-dimethyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxamide IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-N,2-dimethyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Traditional Name: 5-[(3,5-dichlorophenyl)thio]-4-isopropyl-N,2-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide Formula: C22H23Cl2N3OS MolecularWeight: 448.40852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3OS/c1-13(2)19-20(21(28)25-4)14(3)27(12-15-5-7-26-8-6-15)22(19)29-18-10-16(23)9-17(24)11-18/h5-11,13H,12H2,1-4H3,(H,25,28)