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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

InChI

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