N1-[5-(1-benzothiophen-2-yl)-6-pyridin-4-yl-pyridin-2-yl]-3-phenyl-propane-1,2-diamine

Systemtic Name: N1-[5-(1-benzothiophen-2-yl)-6-pyridin-4-yl-pyridin-2-yl]-3-phenyl-propane-1,2-diamine Openeye Name: N1-[5-(benzothiophen-2-yl)-6-(4-pyridyl)-2-pyridyl]-3-phenyl-propane-1,2-diamine CAS Name: N1-[5-(1-benzothiophen-2-yl)-6-pyridin-4-yl-2-pyridinyl]-3-phenylpropane-1,2-diamine IUPAC Name: 1-N-[5-(1-benzothiophen-2-yl)-6-pyridin-4-ylpyridin-2-yl]-3-phenylpropane-1,2-diamine Traditional Name: (2-amino-3-phenyl-propyl)-[5-(benzothiophen-2-yl)-6-(4-pyridyl)-2-pyridyl]amine Formula: C27H24N4S MolecularWeight: 436.57126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CNC2=NC(=C(C=C2)C3=CC4=CC=CC=C4S3)C5=CC=NC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CNC2=NC(=C(C=C2)C3=CC4=CC=CC=C4S3)C5=CC=NC=C5)N

InChI

InChI=1S/C27H24N4S/c28-22(16-19-6-2-1-3-7-19)18-30-26-11-10-23(27(31-26)20-12-14-29-15-13-20)25-17-21-8-4-5-9-24(21)32-25/h1-15,17,22H,16,18,28H2,(H,30,31)