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

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-cyano-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-cyano-benzamide CAS Name: N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-cyanobenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-cyanobenzamide Traditional Name: N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-cyano-benzamide Formula: C17H11ClN4OS2 MolecularWeight: 386.87844

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN4OS2/c18-14-7-3-12(4-8-14)10-24-17-22-21-16(25-17)20-15(23)13-5-1-11(9-19)2-6-13/h1-8H,10H2,(H,20,21,23)