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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2,5-dimethylphenyl)-1-propanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2,5-dimethylphenyl)propan-1-one Formula: C13H15N3OS2 MolecularWeight: 293.4077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=C(S2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=C(S2)N

InChI

InChI=1S/C13H15N3OS2/c1-7-4-5-8(2)10(6-7)11(17)9(3)18-13-16-15-12(14)19-13/h4-6,9H,1-3H3,(H2,14,15)