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

Systemtic Name: 3-bromanyl-N-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-bromo-benzamide CAS Name: N-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-3-bromobenzamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-bromobenzamide Traditional Name: N-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-3-bromo-benzamide Formula: C17H13BrN4O2S2 MolecularWeight: 449.34472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN4O2S2/c18-12-6-4-5-11(9-12)15(24)20-16-21-22-17(26-16)25-10-14(23)19-13-7-2-1-3-8-13/h1-9H,10H2,(H,19,23)(H,20,21,24)