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

Systemtic Name: 3-[(5-bromanylthiophen-3-yl)methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-[(5-bromo-3-thienyl)methylamino]-5-fluoro-4-methyl-benzonitrile CAS Name: 3-[(5-bromo-3-thiophenyl)methylamino]-5-fluoro-4-methylbenzonitrile IUPAC Name: 3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzonitrile Traditional Name: 3-[(5-bromo-3-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=CSC(=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NCC2=CSC(=C2)Br

InChI

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