2-[2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]phenoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]phenoxy]benzenecarbonitrile Openeye Name: 2-[2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]phenoxy]benzonitrile CAS Name: 2-[2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]phenoxy]benzonitrile IUPAC Name: 2-[2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]phenoxy]benzonitrile Traditional Name: 2-[2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]phenoxy]benzonitrile Formula: C25H21N5OS MolecularWeight: 439.53214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC=C4OC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC=C4OC5=CC=CC=C5C#N

InChI

InChI=1S/C25H21N5OS/c26-15-19-7-1-4-10-23(19)31-24-11-5-2-8-21(24)30-14-13-29(17-20-16-27-18-28-20)22-9-3-6-12-25(22)32-30/h1-12,16,18H,13-14,17H2,(H,27,28)