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

Systemtic Name: N-(3-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H15BrN4O2S/c1-24-14-7-5-11(6-8-14)16-20-17(22-21-16)25-10-15(23)19-13-4-2-3-12(18)9-13/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)