4-[[4-(ethoxymethyl)-2-phenylsulfanyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine

Systemtic Name: 4-[[4-(ethoxymethyl)-2-phenylsulfanyl-3-propan-2-yl-pyrrol-1-yl]methyl]pyridine Openeye Name: 4-[[4-(ethoxymethyl)-3-isopropyl-2-phenylsulfanyl-pyrrol-1-yl]methyl]pyridine CAS Name: 4-[[4-(ethoxymethyl)-2-(phenylthio)-3-propan-2-yl-1-pyrrolyl]methyl]pyridine IUPAC Name: 4-[[4-(ethoxymethyl)-2-phenylsulfanyl-3-propan-2-ylpyrrol-1-yl]methyl]pyridine Traditional Name: 4-[[4-(ethoxymethyl)-3-isopropyl-2-(phenylthio)pyrrol-1-yl]methyl]pyridine Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CN(C(=C1C(C)C)SC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

CCOCC1=CN(C(=C1C(C)C)SC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H26N2OS/c1-4-25-16-19-15-24(14-18-10-12-23-13-11-18)22(21(19)17(2)3)26-20-8-6-5-7-9-20/h5-13,15,17H,4,14,16H2,1-3H3