4-[[2-(3-bromanyl-5-chloranyl-phenyl)sulfanyl-5-methyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine

Systemtic Name: 4-[[2-(3-bromanyl-5-chloranyl-phenyl)sulfanyl-5-methyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine Openeye Name: 4-[[2-(3-bromo-5-chloro-phenyl)sulfanyl-3-isopropyl-5-methyl-pyrrol-1-yl]methyl]pyridine CAS Name: 4-[[2-[(3-bromo-5-chlorophenyl)thio]-5-methyl-3-propan-2-yl-1-pyrrolyl]methyl]pyridine IUPAC Name: 4-[[2-(3-bromo-5-chlorophenyl)sulfanyl-5-methyl-3-propan-2-ylpyrrol-1-yl]methyl]pyridine Traditional Name: 4-[[2-[(3-bromo-5-chloro-phenyl)thio]-3-isopropyl-5-methyl-pyrrol-1-yl]methyl]pyridine Formula: C20H20BrClN2S MolecularWeight: 435.8082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrClN2S/c1-13(2)19-8-14(3)24(12-15-4-6-23-7-5-15)20(19)25-18-10-16(21)9-17(22)11-18/h4-11,13H,12H2,1-3H3