2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 1-phenyl-2-[(5-p-phenetyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-2-23-15-10-8-14(9-11-15)17-19-18(21-20-17)24-12-16(22)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,19,20,21)