(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-3-(4-phenylphenyl)propanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-3-(4-phenylphenyl)propanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-(4-phenylphenyl)propanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-(4-phenylphenyl)propanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-(4-phenylphenyl)propanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-3-(4-phenylphenyl)propionitrile Formula: C22H14N2OS MolecularWeight: 354.42436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C22H14N2OS/c23-14-18(22-24-19-8-4-5-9-20(19)26-22)21(25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,24H/b22-18+