2-[[1-[2,4-bis(chloranyl)-5-methoxy-phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[1-[2,4-bis(chloranyl)-5-methoxy-phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[1-(2,4-dichloro-5-methoxy-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[[1-(2,4-dichloro-5-methoxyphenyl)-5-tetrazolyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[1-(2,4-dichloro-5-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[1-(2,4-dichloro-5-methoxy-phenyl)tetrazol-5-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C16H12Cl2N6O4S MolecularWeight: 455.27528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H12Cl2N6O4S/c1-28-14-7-13(9(17)6-10(14)18)23-16(20-21-22-23)29-8-15(25)19-11-4-2-3-5-12(11)24(26)27/h2-7H,8H2,1H3,(H,19,25)