methyl 2-tert-butyl-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-tert-butyl-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-tert-butyl-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-tert-butyl-4-[[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl]thio]-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-6-methylpyrimidine-5-carboxylate Traditional Name: 2-tert-butyl-4-[[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)(C)C)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)(C)C)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C(=O)OC

InChI

InChI=1S/C24H27N5O3S/c1-14-19(22(31)32-7)20(27-23(26-14)24(2,3)4)33-13-18(30)15(12-25)21-28(5)16-10-8-9-11-17(16)29(21)6/h8-11H,13H2,1-7H3