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

Systemtic Name: N-(2-bromophenyl)-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromophenyl)-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H16BrN5O4S MolecularWeight: 478.31974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN5O4S/c1-23-16(10-28-13-8-6-12(7-9-13)24(26)27)21-22-18(23)29-11-17(25)20-15-5-3-2-4-14(15)19/h2-9H,10-11H2,1H3,(H,20,25)