4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-fluoro-benzonitrile Formula: C10H8FN5S MolecularWeight: 249.267423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)CSC2=NNC(=N2)N

InChI

InChI=1S/C10H8FN5S/c11-8-3-6(4-12)1-2-7(8)5-17-10-14-9(13)15-16-10/h1-3H,5H2,(H3,13,14,15,16)