1-[(3E)-3-(5-chloranyl-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(3E)-3-(5-chloranyl-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]-1,2,4-triazole-3-carbonitrile Formula: C14H7ClN6OS MolecularWeight: 342.76298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=C(C#N)C(=O)CN3C=NC(=N3)C#N)S2

Isomeric SMILES

C1=CC2=C(C=C1Cl)N/C(=C(/C#N)\C(=O)CN3C=NC(=N3)C#N)/S2

InChI

InChI=1S/C14H7ClN6OS/c15-8-1-2-12-10(3-8)19-14(23-12)9(4-16)11(22)6-21-7-18-13(5-17)20-21/h1-3,7,19H,6H2/b14-9+