N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C18H15N5OS3 MolecularWeight: 413.5396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C18H15N5OS3/c19-10-11-25-15-9-5-4-8-14(15)21-16(24)12-26-18-23-22-17(27-18)20-13-6-2-1-3-7-13/h1-9H,11-12H2,(H,20,22)(H,21,24)