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

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S2/c1-12-8-18(23-11-22-12)28-13(2)19(25)24-20-16(9-21)17(10-27-20)14-4-6-15(26-3)7-5-14/h4-8,10-11,13H,1-3H3,(H,24,25)