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

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

CCCCC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3OS/c1-2-3-9-13-15-14(17-16-13)19-10-12(18)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,16,17)