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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3OS/c1-4-7-22-16-18-9-12(17)14(20-16)15(21)19-13-8-10(2)5-6-11(13)3/h4-6,8-9H,1,7H2,2-3H3,(H,19,21)