8-bromanyl-2-phenethyl-5-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 8-bromanyl-2-phenethyl-5-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 8-bromo-2-phenethyl-5-[(1-tritylimidazol-4-yl)methyl]-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 8-bromo-2-phenethyl-5-[[1-(triphenylmethyl)-4-imidazolyl]methyl]-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 8-bromo-2-phenethyl-5-[(1-tritylimidazol-4-yl)methyl]-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 8-bromo-2-phenethyl-5-[(1-tritylimidazol-4-yl)methyl]-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C39H35BrN4S MolecularWeight: 671.691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C2)Br)SN1CCC3=CC=CC=C3)CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(C2=C(C=C(C=C2)Br)SN1CCC3=CC=CC=C3)CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H35BrN4S/c40-35-21-22-37-38(27-35)45-44(24-23-31-13-5-1-6-14-31)26-25-42(37)28-36-29-43(30-41-36)39(32-15-7-2-8-16-32,33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-22,27,29-30H,23-26,28H2