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

Systemtic Name: 5-(3-ethyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide Openeye Name: 5-[3-ethyl-5-phenyl-4-(4-pyridyl)-1H-pyrrol-2-yl]-2,3-dihydrobenzothiophene 1-oxide CAS Name: 5-(3-ethyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide IUPAC Name: 5-(3-ethyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-2,3-dihydro-1-benzothiophene 1-oxide Traditional Name: 5-[3-ethyl-5-phenyl-4-(4-pyridyl)-1H-pyrrol-2-yl]-2,3-dihydrobenzothiophene 1-oxide Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C2=CC=NC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)CC5

Isomeric SMILES

CCC1=C(NC(=C1C2=CC=NC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)S(=O)CC5

InChI

InChI=1S/C25H22N2OS/c1-2-21-23(17-10-13-26-14-11-17)25(18-6-4-3-5-7-18)27-24(21)20-8-9-22-19(16-20)12-15-29(22)28/h3-11,13-14,16,27H,2,12,15H2,1H3