3-chloranyl-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)isothiazole-4-carbonitrile CAS Name: 3-chloro-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)isothiazole-4-carbonitrile Formula: C13H10ClN3OS MolecularWeight: 291.756

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2CN1C3=C(C(=NS3)Cl)C#N

Isomeric SMILES

C1COC2=CC=CC=C2CN1C3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C13H10ClN3OS/c14-12-10(7-15)13(19-16-12)17-5-6-18-11-4-2-1-3-9(11)8-17/h1-4H,5-6,8H2