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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)C2=C1C=C(C=C2)C3=CC(=C(N3)C4=CC=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1(CS(=O)C2=C1C=C(C=C2)C3=CC(=C(N3)C4=CC=CC=C4)C5=CC=NC=C5)C

InChI

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