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

Systemtic Name: 2-[[5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-[[[5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-[[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C=C3)COC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C=C3)COC5=CC=CC=C5

InChI

InChI=1S/C26H22N4OS/c1-3-9-20(10-4-1)17-30-25(18-31-23-12-5-2-6-13-23)28-29-26(30)32-19-22-16-15-21-11-7-8-14-24(21)27-22/h1-16H,17-19H2