3-fluoranyl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 3-fluoro-4-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-3-fluoro-benzonitrile Formula: C13H11FN4S MolecularWeight: 274.316643

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C=CCN1C=NN=C1SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C13H11FN4S/c1-2-5-18-9-16-17-13(18)19-8-11-4-3-10(7-15)6-12(11)14/h2-4,6,9H,1,5,8H2