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

Systemtic Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3OS/c1-10(2)8-13-15-14(17-16-13)19-9-12(18)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)