7,8-bis(bromanyl)-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 7,8-bis(bromanyl)-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 7,8-dibromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 7,8-dibromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 7,8-dibromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 7,8-dibromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C20H20Br2N4S MolecularWeight: 508.2726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC(=C(C=C2SN1CCC3=CC=CC=C3)Br)Br)CC4=CN=CN4

Isomeric SMILES

C1CN(C2=CC(=C(C=C2SN1CCC3=CC=CC=C3)Br)Br)CC4=CN=CN4

InChI

InChI=1S/C20H20Br2N4S/c21-17-10-19-20(11-18(17)22)27-26(7-6-15-4-2-1-3-5-15)9-8-25(19)13-16-12-23-14-24-16/h1-5,10-12,14H,6-9,13H2,(H,23,24)