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

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

C1CC1C2=NC(=NN2)SCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C13H11FN4S/c14-11-5-8(6-15)1-2-10(11)7-19-13-16-12(17-18-13)9-3-4-9/h1-2,5,9H,3-4,7H2,(H,16,17,18)