1-(3-nitro-4-phenylsulfanyl-phenyl)-1,2,3,4-tetrazole

Systemtic Name: 1-(3-nitro-4-phenylsulfanyl-phenyl)-1,2,3,4-tetrazole Openeye Name: 1-(3-nitro-4-phenylsulfanyl-phenyl)tetrazole CAS Name: 1-[3-nitro-4-(phenylthio)phenyl]tetrazole IUPAC Name: 1-(3-nitro-4-phenylsulfanylphenyl)tetrazole Traditional Name: 1-[3-nitro-4-(phenylthio)phenyl]tetrazole Formula: C13H9N5O2S MolecularWeight: 299.30786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)N3C=NN=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)N3C=NN=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O2S/c19-18(20)12-8-10(17-9-14-15-16-17)6-7-13(12)21-11-4-2-1-3-5-11/h1-9H