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

Systemtic Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzenecarbonitrile Openeye Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile CAS Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile IUPAC Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile Traditional Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]benzonitrile Formula: C19H17N5S MolecularWeight: 347.43678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(SC2=CC=CC=C2N1CC3=CN=CN3)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H17N5S/c20-11-15-5-1-2-6-17(15)24-10-9-23(13-16-12-21-14-22-16)18-7-3-4-8-19(18)25-24/h1-8,12,14H,9-10,13H2,(H,21,22)