8-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H20N4OS2/c1-5-15-7-2-10-22-19(15)16(6-1)14-28-21-24-23-20(18-9-4-12-27-18)25(21)13-17-8-3-11-26-17/h1-2,4-7,9-10,12,17H,3,8,11,13-14H2