5-(1H-imidazol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 5-(1H-imidazol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 5-(1H-imidazol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 5-(1H-imidazol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 5-(1H-imidazol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 5-(1H-imidazol-5-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(C3=CC=CC=C3S2)CC4=CN=CN4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(C3=CC=CC=C3S2)CC4=CN=CN4

InChI

InChI=1S/C19H20N4OS/c1-24-17-6-4-5-16(11-17)23-10-9-22(13-15-12-20-14-21-15)18-7-2-3-8-19(18)25-23/h2-8,11-12,14H,9-10,13H2,1H3,(H,20,21)