1-(3,3-dimethyl-5-phenylsulfanyl-1H-1,2,4-triazol-2-yl)ethanone

Systemtic Name: 1-(3,3-dimethyl-5-phenylsulfanyl-1H-1,2,4-triazol-2-yl)ethanone Openeye Name: 1-(3,3-dimethyl-5-phenylsulfanyl-1H-1,2,4-triazol-2-yl)ethanone CAS Name: 1-[3,3-dimethyl-5-(phenylthio)-1H-1,2,4-triazol-2-yl]ethanone IUPAC Name: 1-(3,3-dimethyl-5-phenylsulfanyl-1H-1,2,4-triazol-2-yl)ethanone Traditional Name: 1-[3,3-dimethyl-5-(phenylthio)-1H-1,2,4-triazol-2-yl]ethanone Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(N=C(N1)SC2=CC=CC=C2)(C)C

Isomeric SMILES

CC(=O)N1C(N=C(N1)SC2=CC=CC=C2)(C)C

InChI

InChI=1S/C12H15N3OS/c1-9(16)15-12(2,3)13-11(14-15)17-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,14)