2-bromanyl-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-bromo-N-[5-[(2,4,6-trimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-bromo-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[5-[(2,4,6-trimethylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C19H18BrN3OS2/c1-11-8-12(2)15(13(3)9-11)10-25-19-23-22-18(26-19)21-17(24)14-6-4-5-7-16(14)20/h4-9H,10H2,1-3H3,(H,21,22,24)