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

Systemtic Name: 1-phenyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]butan-1-one Formula: C18H19N3OS3 MolecularWeight: 389.55796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)NCCC3=CC=CS3

InChI

InChI=1S/C18H19N3OS3/c22-16(14-6-2-1-3-7-14)9-5-13-24-18-21-20-17(25-18)19-11-10-15-8-4-12-23-15/h1-4,6-8,12H,5,9-11,13H2,(H,19,20)