5-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-tetrazole CAS Name: 5-[(3-nitrophenyl)methylthio]-1-phenyltetrazole IUPAC Name: 5-[(3-nitrophenyl)methylsulfanyl]-1-phenyltetrazole Traditional Name: 5-[(3-nitrobenzyl)thio]-1-phenyl-tetrazole Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O2S/c20-19(21)13-8-4-5-11(9-13)10-22-14-15-16-17-18(14)12-6-2-1-3-7-12/h1-9H,10H2