(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]pentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]valeronitrile Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C19H18N4O2S2/c1-3-6-12-9-16(24)23-19(21-12)26-11(2)17(25)13(10-20)18-22-14-7-4-5-8-15(14)27-18/h4-5,7-9,11,22H,3,6H2,1-2H3,(H,21,23,24)/b18-13+