N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C20H24N4OS2 MolecularWeight: 400.56076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H24N4OS2/c1-14-18(15(2)24-20(23-14)26-3)8-9-19(25)22-10-11-27-13-17-7-5-4-6-16(17)12-21/h4-7H,8-11,13H2,1-3H3,(H,22,25)