2-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC(=O)NC3=CC(=CC=C3)OC

InChI

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