N-(2,4-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2,4-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2,4-dimethylphenyl)-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2,4-dimethylphenyl)-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3OS/c1-15-8-9-18(16(2)12-15)24-20(25)10-11-26-21-13-19(22-14-23-21)17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,24,25)