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

Systemtic Name: 1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]propan-2-one Openeye Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)propan-2-one CAS Name: 1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-2-propanone IUPAC Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)propan-2-one Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)acetone Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC(=NS1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1=NC(=NS1)CC2=CC=CC=C2

InChI

InChI=1S/C12H12N2OS/c1-9(15)7-12-13-11(14-16-12)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3