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

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-2-carbaldehyde Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)pyrrole-2-carbaldehyde CAS Name: 5-[(3,5-dichlorophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-pyrrolecarboxaldehyde IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-2-carbaldehyde Traditional Name: 5-[(3,5-dichlorophenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)pyrrole-2-carbaldehyde Formula: C20H18Cl2N2OS MolecularWeight: 405.34072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=C1)C=O)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=C(N(C(=C1)C=O)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2OS/c1-13(2)19-10-17(12-25)24(11-14-3-5-23-6-4-14)20(19)26-18-8-15(21)7-16(22)9-18/h3-10,12-13H,11H2,1-2H3