N-(3-chloranyl-4-methyl-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-(2-pyrimidylthio)propionamide Formula: C14H14ClN3OS MolecularWeight: 307.79846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC=CC=N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC=CC=N2)Cl

InChI

InChI=1S/C14H14ClN3OS/c1-10-3-4-11(9-12(10)15)18-13(19)5-8-20-14-16-6-2-7-17-14/h2-4,6-7,9H,5,8H2,1H3,(H,18,19)