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

Systemtic Name: N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C25H21BrN4O3S MolecularWeight: 537.42824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN4O3S/c1-33-21-13-9-18(10-14-21)24(32)27-15-23-28-29-25(30(23)20-5-3-2-4-6-20)34-16-22(31)17-7-11-19(26)12-8-17/h2-14H,15-16H2,1H3,(H,27,32)