3-[8-bromanyl-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[8-bromanyl-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzenecarbonitrile Openeye Name: 3-[8-bromo-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile CAS Name: 3-[8-bromo-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile IUPAC Name: 3-[8-bromo-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile Traditional Name: 3-[8-bromo-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile Formula: C19H16BrN5S MolecularWeight: 426.33284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(SC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(SC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H16BrN5S/c20-15-4-5-18-19(9-15)26-25(17-3-1-2-14(8-17)10-21)7-6-24(18)12-16-11-22-13-23-16/h1-5,8-9,11,13H,6-7,12H2,(H,22,23)