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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-4-piperidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[5-bromo-2-methoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[5-bromo-2-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[5-bromo-2-methoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[5-bromo-2-methoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=S)N2CCCCC2)Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=S)N2CCCCC2)Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21BrN2O2S/c1-25-19-11-17(21(27)24-9-5-2-6-10-24)18(22)12-20(19)26-14-16-8-4-3-7-15(16)13-23/h3-4,7-8,11-12H,2,5-6,9-10,14H2,1H3