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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]butyronitrile Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S2/c1-2-5-11-8-16(24)22-18(20-11)25-10-14(23)12(9-19)17-21-13-6-3-4-7-15(13)26-17/h3-4,6-8,21H,2,5,10H2,1H3,(H,20,22,24)/b17-12+