5-[(4-chlorophenyl)methyl]-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one

Systemtic Name: 5-[(4-chlorophenyl)methyl]-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Openeye Name: 2-allylsulfanyl-5-[(4-chlorophenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-6-phenyl-2-(prop-2-enylthio)-1,3-diazinan-4-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(allylthio)-5-(4-chlorobenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C20H21ClN2OS MolecularWeight: 372.91154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C=CCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2OS/c1-2-12-25-20-22-18(15-6-4-3-5-7-15)17(19(24)23-20)13-14-8-10-16(21)11-9-14/h2-11,17-18,20,22H,1,12-13H2,(H,23,24)