2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenecarbonitrile Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2C3=NCCCN3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2C3=NCCCN3)C#N

InChI

InChI=1S/C19H18BrN3OS/c1-24-17-7-6-15(20)10-14(17)12-25-18-13(11-21)4-2-5-16(18)19-22-8-3-9-23-19/h2,4-7,10H,3,8-9,12H2,1H3,(H,22,23)