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

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

CCC1CS(=O)C2=C1C=C(C=C2)C3=CC(=C(N3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CCC1CS(=O)C2=C1C=C(C=C2)C3=CC(=C(N3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

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