(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4,5,6-trimethyl-2-pyrimidinyl)thio]pentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(4,5,6-trimethylpyrimidin-2-yl)thio]valeronitrile Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C(=O)C(=C2NC3=CC=CC=C3S2)C#N)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC(C)C(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N)C

InChI

InChI=1S/C19H18N4OS2/c1-10-11(2)21-19(22-12(10)3)25-13(4)17(24)14(9-20)18-23-15-7-5-6-8-16(15)26-18/h5-8,13,23H,1-4H3/b18-14+