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

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-3-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-[(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)SCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S2/c1-13-9-19(23-12-22-13)27-8-7-18(25)24-20-16(10-21)17(11-28-20)14-3-5-15(26-2)6-4-14/h3-6,9,11-12H,7-8H2,1-2H3,(H,24,25)