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

Systemtic Name: 5-(5-phenyl-3-propyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide Openeye Name: 5-[5-phenyl-3-propyl-4-(4-pyridyl)-1H-pyrrol-2-yl]-2,3-dihydrobenzothiophene 1-oxide CAS Name: 5-(5-phenyl-3-propyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide IUPAC Name: 5-(5-phenyl-3-propyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide Traditional Name: 5-[5-phenyl-3-propyl-4-(4-pyridyl)-1H-pyrrol-2-yl]-2,3-dihydrobenzothiophene 1-oxide Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C2=CC=NC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)CC5

Isomeric SMILES

CCCC1=C(NC(=C1C2=CC=NC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)CC5

InChI

InChI=1S/C26H24N2OS/c1-2-6-22-24(18-11-14-27-15-12-18)26(19-7-4-3-5-8-19)28-25(22)21-9-10-23-20(17-21)13-16-30(23)29/h3-5,7-12,14-15,17,28H,2,6,13,16H2,1H3