N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-2-methoxy-benzamide

Systemtic Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-2-methoxy-benzamide Openeye Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-2-methoxy-benzamide CAS Name: N-[1-[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-2-methoxybenzamide IUPAC Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-2-methoxybenzamide Traditional Name: N-[1-[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-2-methoxy-benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(CO)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(CO)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C20H21BrN4O3S/c1-25-18(23-24-20(25)29-12-13-7-9-14(21)10-8-13)16(11-26)22-19(27)15-5-3-4-6-17(15)28-2/h3-10,16,26H,11-12H2,1-2H3,(H,22,27)