4-[azanyl-(3-methylimidazol-4-yl)-(4-phenyl-6-pyridin-3-yl-1-benzothiophen-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-(3-methylimidazol-4-yl)-(4-phenyl-6-pyridin-3-yl-1-benzothiophen-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-(3-methylimidazol-4-yl)-[4-phenyl-6-(3-pyridyl)benzothiophen-2-yl]methyl]benzonitrile CAS Name: 4-[amino-(3-methyl-4-imidazolyl)-[4-phenyl-6-(3-pyridinyl)-1-benzothiophen-2-yl]methyl]benzonitrile IUPAC Name: 4-[amino-(3-methylimidazol-4-yl)-(4-phenyl-6-pyridin-3-yl-1-benzothiophen-2-yl)methyl]benzonitrile Traditional Name: 4-[amino-(3-methylimidazol-4-yl)-[4-phenyl-6-(3-pyridyl)benzothiophen-2-yl]methyl]benzonitrile Formula: C31H23N5S MolecularWeight: 497.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C(C=C4S3)C5=CN=CC=C5)C6=CC=CC=C6)N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C(C=C4S3)C5=CN=CC=C5)C6=CC=CC=C6)N

InChI

InChI=1S/C31H23N5S/c1-36-20-35-19-29(36)31(33,25-11-9-21(17-32)10-12-25)30-16-27-26(22-6-3-2-4-7-22)14-24(15-28(27)37-30)23-8-5-13-34-18-23/h2-16,18-20H,33H2,1H3