1-(4-ethylphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethylphenyl)-2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-ethylphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-ethylphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethylphenyl)-2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C16H21N3OS2 MolecularWeight: 335.48744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCC(C)C

InChI

InChI=1S/C16H21N3OS2/c1-4-12-5-7-13(8-6-12)14(20)10-21-16-19-18-15(22-16)17-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)