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

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C27H24N4O2S2 MolecularWeight: 500.63506

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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)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O2S2/c1-4-24(35-25-14-23(29-17(2)30-25)19-8-6-5-7-9-19)26(32)31-27-21(15-28)22(16-34-27)18-10-12-20(33-3)13-11-18/h5-14,16,24H,4H2,1-3H3,(H,31,32)