1-[3-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)C(=O)C)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)C(=O)C)OCC

InChI

InChI=1S/C21H24N4O3S/c1-4-27-18-9-6-15(7-10-18)20-23-24-21(25(20)22)29-13-17-12-16(14(3)26)8-11-19(17)28-5-2/h6-12H,4-5,13,22H2,1-3H3