2-(methylsulfanylmethyl)-5-(4-nitrophenoxy)-1,2,3,4-tetrazole

Systemtic Name: 2-(methylsulfanylmethyl)-5-(4-nitrophenoxy)-1,2,3,4-tetrazole Openeye Name: 2-(methylsulfanylmethyl)-5-(4-nitrophenoxy)tetrazole CAS Name: 2-[(methylthio)methyl]-5-(4-nitrophenoxy)tetrazole IUPAC Name: 2-(methylsulfanylmethyl)-5-(4-nitrophenoxy)tetrazole Traditional Name: 2-[(methylthio)methyl]-5-(4-nitrophenoxy)tetrazole Formula: C9H9N5O3S MolecularWeight: 267.26446

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Descriptors Computed from Structure

Canonical SMILES:

CSCN1N=C(N=N1)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSCN1N=C(N=N1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O3S/c1-18-6-13-11-9(10-12-13)17-8-4-2-7(3-5-8)14(15)16/h2-5H,6H2,1H3