2-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[(5-bromo-2-methoxyphenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[(5-bromo-2-methoxy-benzyl)thio]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-12-4-3-5-13(8-12)18-22-23-19(24(18)10-17(21)25)27-11-14-9-15(20)6-7-16(14)26-2/h3-9H,10-11H2,1-2H3,(H2,21,25)