4-[(2S)-3-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-[(5-bromo-2-thienyl)methyl-methyl-amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-[(5-bromo-2-thiophenyl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-[(5-bromo-2-thienyl)methyl-methyl-amino]-2-hydroxy-propoxy]benzonitrile Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H17BrN2O2S/c1-19(10-15-6-7-16(17)22-15)9-13(20)11-21-14-4-2-12(8-18)3-5-14/h2-7,13,20H,9-11H2,1H3/t13-/m0/s1