methyl 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 4-[5-[(4-methoxy-3-nitrophenyl)methylthio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-[(4-methoxy-3-nitro-benzyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-26-15-8-3-11(9-14(15)22(24)25)10-28-17-18-19-20-21(17)13-6-4-12(5-7-13)16(23)27-2/h3-9H,10H2,1-2H3