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

Systemtic Name: 3-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C19H18N4OS2/c20-11-14-4-1-5-15(10-14)13-26-19-22-21-18(17-7-3-9-25-17)23(19)12-16-6-2-8-24-16/h1,3-5,7,9-10,16H,2,6,8,12-13H2