2-bromanyl-N-[5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[5-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-bromo-N-[5-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-bromo-N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[5-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H13BrN4O3S2 MolecularWeight: 453.33342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C16H13BrN4O3S2/c17-12-6-2-1-5-11(12)14(23)19-15-20-21-16(26-15)25-9-13(22)18-8-10-4-3-7-24-10/h1-7H,8-9H2,(H,18,22)(H,19,20,23)