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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2,4,5-trimethylphenyl)-1-propanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2,4,5-trimethylphenyl)propan-1-one Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(S2)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(S2)N)C)C

InChI

InChI=1S/C14H17N3OS2/c1-7-5-9(3)11(6-8(7)2)12(18)10(4)19-14-17-16-13(15)20-14/h5-6,10H,1-4H3,(H2,15,16)