N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetamide Formula: C27H24N4O2S2 MolecularWeight: 500.63506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H24N4O2S2/c1-18-19(2)35-26(22(18)16-28)30-24(32)17-31-25(33)15-23(21-11-7-4-8-12-21)29-27(31)34-14-13-20-9-5-3-6-10-20/h3-12,15H,13-14,17H2,1-2H3,(H,30,32)