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

Systemtic Name: 4-bromanyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14BrN3OS2 MolecularWeight: 420.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3OS2/c1-11-2-4-12(5-3-11)10-23-17-21-20-16(24-17)19-15(22)13-6-8-14(18)9-7-13/h2-9H,10H2,1H3,(H,19,20,22)