1-(2-aminophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2-aminophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-aminophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-aminophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-aminophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-aminophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2N)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2N)COC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-22-17(11-24-13-7-3-2-4-8-13)20-21-18(22)25-12-16(23)14-9-5-6-10-15(14)19/h2-10H,11-12,19H2,1H3