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

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O2S2/c1-16(33-23-12-22(27-15-28-23)18-6-4-3-5-7-18)24(30)29-25-20(13-26)21(14-32-25)17-8-10-19(31-2)11-9-17/h3-12,14-16H,1-2H3,(H,29,30)