4-[3-[2-diethoxyphosphoryl-2-(3-methyl-1-benzothiophen-2-yl)ethyl]phenyl]pyridine

Systemtic Name: 4-[3-[2-diethoxyphosphoryl-2-(3-methyl-1-benzothiophen-2-yl)ethyl]phenyl]pyridine Openeye Name: 4-[3-[2-diethoxyphosphoryl-2-(3-methylbenzothiophen-2-yl)ethyl]phenyl]pyridine CAS Name: 4-[3-[2-diethoxyphosphoryl-2-(3-methyl-1-benzothiophen-2-yl)ethyl]phenyl]pyridine IUPAC Name: 4-[3-[2-diethoxyphosphoryl-2-(3-methyl-1-benzothiophen-2-yl)ethyl]phenyl]pyridine Traditional Name: 4-[3-[2-diethoxyphosphoryl-2-(3-methylbenzothiophen-2-yl)ethyl]phenyl]pyridine Formula: C26H28NO3PS MolecularWeight: 465.544181

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC=CC(=C1)C2=CC=NC=C2)C3=C(C4=CC=CC=C4S3)C)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC=CC(=C1)C2=CC=NC=C2)C3=C(C4=CC=CC=C4S3)C)OCC

InChI

InChI=1S/C26H28NO3PS/c1-4-29-31(28,30-5-2)24(26-19(3)23-11-6-7-12-25(23)32-26)18-20-9-8-10-22(17-20)21-13-15-27-16-14-21/h6-17,24H,4-5,18H2,1-3H3