4-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=NN=C(S2)SCCC(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=NN=C(S2)SCCC(=O)C)C

InChI

InChI=1S/C15H19N3OS2/c1-4-12-7-5-6-10(2)13(12)16-14-17-18-15(21-14)20-9-8-11(3)19/h5-7H,4,8-9H2,1-3H3,(H,16,17)