3-[(5-bromanylthiophen-2-yl)methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-[(5-bromo-2-thienyl)methylamino]-5-fluoro-4-methyl-benzonitrile CAS Name: 3-[(5-bromo-2-thiophenyl)methylamino]-5-fluoro-4-methylbenzonitrile IUPAC Name: 3-[(5-bromothiophen-2-yl)methylamino]-5-fluoro-4-methylbenzonitrile Traditional Name: 3-[(5-bromo-2-thienyl)methylamino]-5-fluoro-4-methyl-benzonitrile Formula: C13H10BrFN2S MolecularWeight: 325.199303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C#N)NCC2=CC=C(S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NCC2=CC=C(S2)Br

InChI

InChI=1S/C13H10BrFN2S/c1-8-11(15)4-9(6-16)5-12(8)17-7-10-2-3-13(14)18-10/h2-5,17H,7H2,1H3