4-[[2-(3-chlorophenyl)sulfanyl-4-(methoxymethyl)-5-methyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine

Systemtic Name: 4-[[2-(3-chlorophenyl)sulfanyl-4-(methoxymethyl)-5-methyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine Openeye Name: 4-[[2-(3-chlorophenyl)sulfanyl-3-isopropyl-4-(methoxymethyl)-5-methyl-pyrrol-1-yl]methyl]pyridine CAS Name: 4-[[2-[(3-chlorophenyl)thio]-4-(methoxymethyl)-5-methyl-3-propan-2-yl-1-pyrrolyl]methyl]pyridine IUPAC Name: 4-[[2-(3-chlorophenyl)sulfanyl-4-(methoxymethyl)-5-methyl-3-propan-2-ylpyrrol-1-yl]methyl]pyridine Traditional Name: 4-[[2-[(3-chlorophenyl)thio]-3-isopropyl-4-(methoxymethyl)-5-methyl-pyrrol-1-yl]methyl]pyridine Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2OS/c1-15(2)21-20(14-26-4)16(3)25(13-17-8-10-24-11-9-17)22(21)27-19-7-5-6-18(23)12-19/h5-12,15H,13-14H2,1-4H3