N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S2/c1-17-28-23(19-6-4-3-5-7-19)14-25(29-17)33-13-12-24(31)30-26-21(15-27)22(16-34-26)18-8-10-20(32-2)11-9-18/h3-11,14,16H,12-13H2,1-2H3,(H,30,31)