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

Systemtic Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-benzonitrile Formula: C17H13FN4S2 MolecularWeight: 356.440323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C(C=CC(=C3)C#N)F)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C(C=CC(=C3)C#N)F)C4=CC=CS4

InChI

InChI=1S/C17H13FN4S2/c18-14-6-3-11(9-19)8-12(14)10-24-17-21-20-16(15-2-1-7-23-15)22(17)13-4-5-13/h1-3,6-8,13H,4-5,10H2