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

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S2/c1-4-18(29-19-9-13(2)23-12-24-19)20(26)25-21-16(10-22)17(11-28-21)14-5-7-15(27-3)8-6-14/h5-9,11-12,18H,4H2,1-3H3,(H,25,26)