2-[[4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-2-19-13-15-21(16-14-19)29-23(17-31-22-11-7-4-8-12-22)27-28-25(29)32-18-24(30)26-20-9-5-3-6-10-20/h3-16H,2,17-18H2,1H3,(H,26,30)