1-(4-butan-2-ylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-butan-2-ylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-sec-butylphenyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-butan-2-ylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-butan-2-ylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-sec-butylphenyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C20H23N3OS3 MolecularWeight: 417.61112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCCC3=CC=CS3

InChI

InChI=1S/C20H23N3OS3/c1-3-14(2)15-6-8-16(9-7-15)18(24)13-26-20-23-22-19(27-20)21-11-10-17-5-4-12-25-17/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,21,22)