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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O2S2/c1-31-19-9-7-17(8-10-19)21-15-33-25(20(21)14-26)29-23(30)11-12-32-24-13-22(27-16-28-24)18-5-3-2-4-6-18/h2-10,13,15-16H,11-12H2,1H3,(H,29,30)