2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-[[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-[[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C=C3)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C=C3)C5=CC=CO5

InChI

InChI=1S/C23H18N4OS/c1-2-7-17(8-3-1)15-27-22(21-11-6-14-28-21)25-26-23(27)29-16-19-13-12-18-9-4-5-10-20(18)24-19/h1-14H,15-16H2