3-[4-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]propanenitrile

Systemtic Name: 3-[4-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]propanenitrile Openeye Name: 3-[4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]propanenitrile CAS Name: 3-[4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]propanenitrile IUPAC Name: 3-[4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]propanenitrile Traditional Name: 3-[4-[2-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]phenyl]propionitrile Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)S3)CCOC4=CC=C(C=C4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)S3)CCOC4=CC=C(C=C4)CCC#N

InChI

InChI=1S/C25H20N2O3S/c26-14-4-5-18-8-11-21(12-9-18)30-16-15-27-22-13-10-20(17-23(22)31-25(27)29)24(28)19-6-2-1-3-7-19/h1-3,6-13,17H,4-5,15-16H2