1-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]propan-2-one

Systemtic Name: 1-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]propan-2-one Openeye Name: 1-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)propan-2-one CAS Name: 1-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-2-propanone IUPAC Name: 1-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)propan-2-one Traditional Name: 1-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]acetone Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C12H13N3OS/c1-9(16)7-11-13-12(15-14-11)17-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14,15)