5-chloranyl-N-(4-methylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-methylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-methylphenyl)-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-methylphenyl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C15H14ClN3OS MolecularWeight: 319.80916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC=C

InChI

InChI=1S/C15H14ClN3OS/c1-3-8-21-15-17-9-12(16)13(19-15)14(20)18-11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,18,20)