2-[(5-bromanyl-2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(5-bromanyl-2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[5-bromo-2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[5-bromo-2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[5-bromo-2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[5-bromo-2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H19BrN2O2S/c1-24-18-10-16(20(26)23-8-4-5-9-23)17(21)11-19(18)25-13-15-7-3-2-6-14(15)12-22/h2-3,6-7,10-11H,4-5,8-9,13H2,1H3