N-(4-bromanyl-3-chloranyl-phenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-3-chloranyl-phenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-3-chloro-phenyl)acetamide CAS Name: N-(4-bromo-3-chlorophenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-3-chlorophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-3-chloro-phenyl)acetamide Formula: C18H16BrClN4OS MolecularWeight: 451.76784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H16BrClN4OS/c1-24-16(9-12-5-3-2-4-6-12)22-23-18(24)26-11-17(25)21-13-7-8-14(19)15(20)10-13/h2-8,10H,9,11H2,1H3,(H,21,25)