2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2,5-dimethylphenyl)ethanone Formula: C12H13N3OS2 MolecularWeight: 279.38112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(S2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C12H13N3OS2/c1-7-3-4-8(2)9(5-7)10(16)6-17-12-15-14-11(13)18-12/h3-5H,6H2,1-2H3,(H2,13,14)