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

Systemtic Name: N-[5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[5-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: N-[5-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide IUPAC Name: N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H16N4O3S2/c1-11-4-2-5-12(8-11)15(23)19-16-20-21-17(26-16)25-10-14(22)18-9-13-6-3-7-24-13/h2-8H,9-10H2,1H3,(H,18,22)(H,19,20,23)