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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS/c1-2-13-8-10-15(11-9-13)17-19-18(21-20-17)23-12-16(22)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,20,21)