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

Systemtic Name: 3-fluoranyl-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-fluoro-4-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-fluoro-4-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H13FN4OS MolecularWeight: 340.374723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C17H13FN4OS/c1-23-15-4-2-3-14(8-15)22-11-20-21-17(22)24-10-13-6-5-12(9-19)7-16(13)18/h2-8,11H,10H2,1H3