2-[4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CC=CS5

InChI

InChI=1S/C25H22N4OS2/c26-15-20-5-1-2-7-22(20)19-11-9-18(10-12-19)17-32-25-28-27-24(23-8-4-14-31-23)29(25)16-21-6-3-13-30-21/h1-2,4-5,7-12,14,21H,3,6,13,16-17H2