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

Systemtic Name: N-[[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O3S/c1-27-15-8-4-13(5-9-15)18(26)21-10-17-22-19(24-23-17)28-11-16(25)12-2-6-14(20)7-3-12/h2-9H,10-11H2,1H3,(H,21,26)(H,22,23,24)