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

Systemtic Name: N-[[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[3-[(4-bromophenyl)methylthio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[3-[(4-bromobenzyl)thio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NC(=NN2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NC(=NN2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-25-15-8-4-13(5-9-15)17(24)20-10-16-21-18(23-22-16)26-11-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22,23)