1-[3-methylsulfanyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]propan-2-one

Systemtic Name: 1-[3-methylsulfanyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]propan-2-one Openeye Name: 1-(3-benzyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propan-2-one CAS Name: 1-[3-(methylthio)-5-(phenylmethyl)-1,2,4-triazol-4-yl]-2-propanone IUPAC Name: 1-(3-benzyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propan-2-one Traditional Name: 1-[3-benzyl-5-(methylthio)-1,2,4-triazol-4-yl]acetone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NN=C1SC)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CN1C(=NN=C1SC)CC2=CC=CC=C2

InChI

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