3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)benzenecarbonitrile

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)benzenecarbonitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzonitrile CAS Name: 3-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]benzonitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzonitrile Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzonitrile Formula: C17H14N2OS MolecularWeight: 294.37086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H14N2OS/c18-12-13-5-3-6-14(11-13)17(20)19-9-4-10-21-16-8-2-1-7-15(16)19/h1-3,5-8,11H,4,9-10H2