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

Systemtic Name: 3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C12H15N3OS3 MolecularWeight: 313.462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(S1)NCCC2=CC=CS2

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(S1)NCCC2=CC=CS2

InChI

InChI=1S/C12H15N3OS3/c1-8(16)9(2)18-12-15-14-11(19-12)13-6-5-10-4-3-7-17-10/h3-4,7,9H,5-6H2,1-2H3,(H,13,14)