(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloranyl-3-oxidanylidene-4-phenyl-butanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloranyl-3-oxidanylidene-4-phenyl-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxo-4-phenyl-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxo-4-phenylbutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxo-4-phenylbutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-keto-4-phenyl-butyronitrile Formula: C17H11ClN2OS MolecularWeight: 326.80004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C(=C2NC3=CC=CC=C3S2)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N)Cl

InChI

InChI=1S/C17H11ClN2OS/c18-15(11-6-2-1-3-7-11)16(21)12(10-19)17-20-13-8-4-5-9-14(13)22-17/h1-9,15,20H/b17-12+