1-(2-ethoxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(2-ethoxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2-ethoxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]tetrazole CAS Name: 1-(2-ethoxyphenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]tetrazole IUPAC Name: 1-(2-ethoxyphenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]tetrazole Traditional Name: 5-[(2-methoxy-5-nitro-benzyl)thio]-1-o-phenetyl-tetrazole Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N5O4S/c1-3-26-16-7-5-4-6-14(16)21-17(18-19-20-21)27-11-12-10-13(22(23)24)8-9-15(12)25-2/h4-10H,3,11H2,1-2H3