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

Systemtic Name: 3-chloranyl-N-[5-[(2-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-chloro-N-[5-[(2-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-chloro-N-[5-[(2-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-chloro-N-[5-[(2-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-chloro-N-[5-[(2-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H11ClN4OS2 MolecularWeight: 386.87844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Cl)C#N

InChI

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