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

Systemtic Name: N-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: N-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide IUPAC Name: N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C18H14BrN3O2S2 MolecularWeight: 448.35666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrN3O2S2/c1-11-3-2-4-13(9-11)16(24)20-17-21-22-18(26-17)25-10-15(23)12-5-7-14(19)8-6-12/h2-9H,10H2,1H3,(H,20,21,24)