N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-phenoxy-ethanamide

Systemtic Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-phenoxy-ethanamide Openeye Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-phenoxy-acetamide CAS Name: N-[4-[5-[(2-cyanophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-phenoxyacetamide IUPAC Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-phenoxyacetamide Traditional Name: N-[4-[5-[(2-cyanobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-phenoxy-acetamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H21N5O2S/c1-30-24(28-29-25(30)33-17-20-8-6-5-7-19(20)15-26)18-11-13-21(14-12-18)27-23(31)16-32-22-9-3-2-4-10-22/h2-14H,16-17H2,1H3,(H,27,31)