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

Systemtic Name: 4-[[2-(3-chloranyl-5-prop-2-enyl-phenyl)sulfanyl-5-methyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine Openeye Name: 4-[[2-(3-allyl-5-chloro-phenyl)sulfanyl-3-isopropyl-5-methyl-pyrrol-1-yl]methyl]pyridine CAS Name: 4-[[2-[(3-chloro-5-prop-2-enylphenyl)thio]-5-methyl-3-propan-2-yl-1-pyrrolyl]methyl]pyridine IUPAC Name: 4-[[2-(3-chloro-5-prop-2-enylphenyl)sulfanyl-5-methyl-3-propan-2-ylpyrrol-1-yl]methyl]pyridine Traditional Name: 4-[[2-[(3-allyl-5-chloro-phenyl)thio]-3-isopropyl-5-methyl-pyrrol-1-yl]methyl]pyridine Formula: C23H25ClN2S MolecularWeight: 396.976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2S/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/h5,7-14,16H,1,6,15H2,2-4H3