4-[(4-azanyl-2-methyl-phenyl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(4-azanyl-2-methyl-phenyl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(4-amino-2-methyl-phenyl)sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[(4-amino-2-methylphenyl)thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(4-amino-2-methylphenyl)sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[(4-amino-2-methyl-phenyl)thio]methyl]-3-fluoro-benzonitrile Formula: C15H13FN2S MolecularWeight: 272.340523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C15H13FN2S/c1-10-6-13(18)4-5-15(10)19-9-12-3-2-11(8-17)7-14(12)16/h2-7H,9,18H2,1H3