2-(5-phenacylsulfanyl-1,2,4-triazol-1-yl)-1-phenyl-ethanone

Systemtic Name: 2-(5-phenacylsulfanyl-1,2,4-triazol-1-yl)-1-phenyl-ethanone Openeye Name: 2-(5-phenacylsulfanyl-1,2,4-triazol-1-yl)-1-phenyl-ethanone CAS Name: 2-[5-(phenacylthio)-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-(5-phenacylsulfanyl-1,2,4-triazol-1-yl)-1-phenylethanone Traditional Name: 2-[5-(phenacylthio)-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C(=NC=N2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C(=NC=N2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2S/c22-16(14-7-3-1-4-8-14)11-21-18(19-13-20-21)24-12-17(23)15-9-5-2-6-10-15/h1-10,13H,11-12H2