N-(phenylmethyl)-2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-benzyl-2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(phenylmethyl)-2-[[4-phenyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzyl-2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H23N5O2S/c33-25(29-17-20-9-3-1-4-10-20)19-35-27-31-30-24(32(27)22-13-5-2-6-14-22)18-34-23-15-7-11-21-12-8-16-28-26(21)23/h1-16H,17-19H2,(H,29,33)