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

Systemtic Name: 4-[[2-(3-chloranyl-5-propyl-phenyl)sulfanyl-5-methyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine Openeye Name: 4-[[2-(3-chloro-5-propyl-phenyl)sulfanyl-3-isopropyl-5-methyl-pyrrol-1-yl]methyl]pyridine CAS Name: 4-[[2-[(3-chloro-5-propylphenyl)thio]-5-methyl-3-propan-2-yl-1-pyrrolyl]methyl]pyridine IUPAC Name: 4-[[2-(3-chloro-5-propylphenyl)sulfanyl-5-methyl-3-propan-2-ylpyrrol-1-yl]methyl]pyridine Traditional Name: 4-[[2-[(3-chloro-5-propyl-phenyl)thio]-3-isopropyl-5-methyl-pyrrol-1-yl]methyl]pyridine Formula: C23H27ClN2S MolecularWeight: 398.99188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)Cl)SC2=C(C=C(N2CC3=CC=NC=C3)C)C(C)C

Isomeric SMILES

CCCC1=CC(=CC(=C1)Cl)SC2=C(C=C(N2CC3=CC=NC=C3)C)C(C)C

InChI

InChI=1S/C23H27ClN2S/c1-5-6-19-12-20(24)14-21(13-19)27-23-22(16(2)3)11-17(4)26(23)15-18-7-9-25-10-8-18/h7-14,16H,5-6,15H2,1-4H3