4-cyano-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-cyano-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-cyano-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-cyano-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-cyano-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-cyano-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H11N5OS2 MolecularWeight: 377.44284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C18H11N5OS2/c19-9-12-1-3-14(4-2-12)11-25-18-23-22-17(26-18)21-16(24)15-7-5-13(10-20)6-8-15/h1-8H,11H2,(H,21,22,24)