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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]butyronitrile Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C20H21N5O2S/c1-4-7-13-10-18(27)23-20(22-13)28-12-17(26)14(11-21)19-24(2)15-8-5-6-9-16(15)25(19)3/h5-6,8-10H,4,7,12H2,1-3H3,(H,22,23,27)