(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanyl-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(2-pyrimidinylthio)pentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanylpentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(2-pyrimidylthio)valeronitrile Formula: C16H12N4OS2 MolecularWeight: 340.42268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=NC=CC=N3

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=NC=CC=N3

InChI

InChI=1S/C16H12N4OS2/c1-10(22-16-18-7-4-8-19-16)14(21)11(9-17)15-20-12-5-2-3-6-13(12)23-15/h2-8,10,20H,1H3/b15-11+