4-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-propyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-propyl]benzenecarbonitrile Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenyl-propyl]benzonitrile CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylpropyl]benzonitrile IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylpropyl]benzonitrile Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-3-keto-3-phenyl-propyl]benzonitrile Formula: C23H16N2OS MolecularWeight: 368.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H16N2OS/c24-15-17-12-10-16(11-13-17)14-19(22(26)18-6-2-1-3-7-18)23-25-20-8-4-5-9-21(20)27-23/h1-13,19H,14H2