8-bromanyl-5-(1H-imidazol-5-ylmethyl)-2-methyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 8-bromanyl-5-(1H-imidazol-5-ylmethyl)-2-methyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 3-benzyl-8-bromo-5-(1H-imidazol-5-ylmethyl)-2-methyl-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 8-bromo-5-(1H-imidazol-5-ylmethyl)-2-methyl-3-(phenylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 3-benzyl-8-bromo-5-(1H-imidazol-5-ylmethyl)-2-methyl-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 3-benzyl-8-bromo-5-(1H-imidazol-5-ylmethyl)-2-methyl-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C20H21BrN4S MolecularWeight: 429.37654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN(C2=C(S1)C=C(C=C2)Br)CC3=CN=CN3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(CN(C2=C(S1)C=C(C=C2)Br)CC3=CN=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4S/c1-24-18(9-15-5-3-2-4-6-15)13-25(12-17-11-22-14-23-17)19-8-7-16(21)10-20(19)26-24/h2-8,10-11,14,18H,9,12-13H2,1H3,(H,22,23)