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

Systemtic Name: 1-[5-[(phenylmethyl)amino]-1,2,4-thiadiazol-3-yl]propan-2-one Openeye Name: 1-[5-(benzylamino)-1,2,4-thiadiazol-3-yl]propan-2-one CAS Name: 1-[5-[(phenylmethyl)amino]-1,2,4-thiadiazol-3-yl]-2-propanone IUPAC Name: 1-[5-(benzylamino)-1,2,4-thiadiazol-3-yl]propan-2-one Traditional Name: 1-[5-(benzylamino)-1,2,4-thiadiazol-3-yl]acetone Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NCC2=CC=CC=C2

InChI

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