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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)benzenecarbonitrile Openeye Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzonitrile CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]benzonitrile IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzonitrile Traditional Name: 4-(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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