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

Systemtic Name: 5-chloranyl-N-(4-ethylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-(4-ethylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-ethylphenyl)-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-ethylphenyl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(4-ethylphenyl)pyrimidine-4-carboxamide Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC=C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC=C

InChI

InChI=1S/C16H16ClN3OS/c1-3-9-22-16-18-10-13(17)14(20-16)15(21)19-12-7-5-11(4-2)6-8-12/h3,5-8,10H,1,4,9H2,2H3,(H,19,21)