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

Systemtic Name: 5-chloranyl-N-(4-phenylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-(4-phenylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-phenylphenyl)-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-phenylphenyl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(4-phenylphenyl)pyrimidine-4-carboxamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H16ClN3OS/c1-2-12-26-20-22-13-17(21)18(24-20)19(25)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,23,25)