5-(3-butyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide

Systemtic Name: 5-(3-butyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide Openeye Name: 5-[3-butyl-5-phenyl-4-(4-pyridyl)-1H-pyrrol-2-yl]-2,3-dihydrobenzothiophene 1-oxide CAS Name: 5-(3-butyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide IUPAC Name: 5-(3-butyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide Traditional Name: 5-[3-butyl-5-phenyl-4-(4-pyridyl)-1H-pyrrol-2-yl]-2,3-dihydrobenzothiophene 1-oxide Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1C2=CC=NC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)CC5

Isomeric SMILES

CCCCC1=C(NC(=C1C2=CC=NC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)CC5

InChI

InChI=1S/C27H26N2OS/c1-2-3-9-23-25(19-12-15-28-16-13-19)27(20-7-5-4-6-8-20)29-26(23)22-10-11-24-21(18-22)14-17-31(24)30/h4-8,10-13,15-16,18,29H,2-3,9,14,17H2,1H3