3-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzonitrile CAS Name: 3-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzonitrile IUPAC Name: 3-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzonitrile Traditional Name: 3-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzonitrile Formula: C17H8ClN3S MolecularWeight: 321.78352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C=C(\C#N)/C2=NC3=C(S2)C=CC(=C3)Cl)C#N

InChI

InChI=1S/C17H8ClN3S/c18-14-4-5-16-15(8-14)21-17(22-16)13(10-20)7-11-2-1-3-12(6-11)9-19/h1-8H/b13-7+