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

Systemtic Name: 7-bromanyl-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 7-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 7-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 7-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 7-bromo-5-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C20H21BrN4S MolecularWeight: 429.37654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=CC(=C2)Br)SN1CCC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

C1CN(C2=C(C=CC(=C2)Br)SN1CCC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C20H21BrN4S/c21-17-6-7-20-19(12-17)24(14-18-13-22-15-23-18)10-11-25(26-20)9-8-16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,22,23)