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

Systemtic Name: 1-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 1-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3OS/c1-9(2)12-14-13(16-15-12)18-8-11(17)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15,16)