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

Systemtic Name: 1-(2-ethoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2-ethoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]tetrazole CAS Name: 1-(2-ethoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]tetrazole IUPAC Name: 1-(2-ethoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]tetrazole Traditional Name: 5-[(2-methyl-3-nitro-benzyl)thio]-1-o-phenetyl-tetrazole Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c1-3-25-16-10-5-4-8-15(16)21-17(18-19-20-21)26-11-13-7-6-9-14(12(13)2)22(23)24/h4-10H,3,11H2,1-2H3