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

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

CCCCC1CS(=O)C2=C1C=C(C=C2)C3=CC(=C(N3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CCCCC1CS(=O)C2=C1C=C(C=C2)C3=CC(=C(N3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

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