N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylsulfanyl-butanamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-(phenylthio)butanamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylsulfanylbutanamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(phenylthio)butyramide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-16-22-13-12-20(23-16)17-7-5-8-18(15-17)24-21(25)11-6-14-26-19-9-3-2-4-10-19/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,24,25)