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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-(phenylmethyl)-1,2,3,4-tetrazole Openeye Name: 1-benzyl-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]tetrazole CAS Name: 5-[(2-methoxy-5-nitrophenyl)methylthio]-1-(phenylmethyl)tetrazole IUPAC Name: 1-benzyl-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]tetrazole Traditional Name: 1-benzyl-5-[(2-methoxy-5-nitro-benzyl)thio]tetrazole Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=NN2CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=NN2CC3=CC=CC=C3

InChI

InChI=1S/C16H15N5O3S/c1-24-15-8-7-14(21(22)23)9-13(15)11-25-16-17-18-19-20(16)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3