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

Systemtic Name: 1-[3-nitro-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]phenyl]ethanone Formula: C16H14N4O3S3 MolecularWeight: 406.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S3/c1-10(21)11-4-5-14(13(9-11)20(22)23)25-16-19-18-15(26-16)17-7-6-12-3-2-8-24-12/h2-5,8-9H,6-7H2,1H3,(H,17,18)