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

Systemtic Name: 3-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 3-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SC(C)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SC(C)C(=O)C)C

InChI

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