2-(benzotriazol-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(1-benzotriazolyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H16N4OS/c22-17(12-21-14-7-2-1-6-13(14)18-19-21)20-10-5-11-23-16-9-4-3-8-15(16)20/h1-4,6-9H,5,10-12H2