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

Systemtic Name: 4-[[5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC2=NN=C(S2)SCCC(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC2=NN=C(S2)SCCC(=O)C

InChI

InChI=1S/C16H21N3OS2/c1-4-12-7-6-8-13(5-2)14(12)17-15-18-19-16(22-15)21-10-9-11(3)20/h6-8H,4-5,9-10H2,1-3H3,(H,17,18)