2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-1-methylsulfonyl-5,6-dihydro-4H-pyrimidine

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-1-methylsulfonyl-5,6-dihydro-4H-pyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]-1-methylsulfonyl-5,6-dihydro-4H-pyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]-1-methylsulfonyl-5,6-dihydro-4H-pyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]-1-methylsulfonyl-5,6-dihydro-4H-pyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]phenyl]-1-mesyl-5,6-dihydro-4H-pyrimidine Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3S(=O)(=O)C

InChI

InChI=1S/C19H21BrN2O3S2/c1-25-17-9-8-15(20)12-14(17)13-26-18-7-4-3-6-16(18)19-21-10-5-11-22(19)27(2,23)24/h3-4,6-9,12H,5,10-11,13H2,1-2H3