5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine-8-carbonitrile

Systemtic Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine-8-carbonitrile Openeye Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine-8-carbonitrile CAS Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine-8-carbonitrile IUPAC Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine-8-carbonitrile Traditional Name: 5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine-8-carbonitrile Formula: C25H21N5S MolecularWeight: 423.53274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(SC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CN(SC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C25H21N5S/c26-15-19-10-11-24-25(14-19)31-30(13-12-29(24)17-21-16-27-18-28-21)23-9-5-4-8-22(23)20-6-2-1-3-7-20/h1-11,14,16,18H,12-13,17H2,(H,27,28)