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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCCC3=CC=CS3

InChI

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