5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(phenylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(phenylmethyl)-1,2,3,4-tetrazole Openeye Name: 1-benzyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-tetrazole CAS Name: 5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1-(phenylmethyl)tetrazole IUPAC Name: 1-benzyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyltetrazole Traditional Name: 1-benzyl-5-[(4-mesyl-2-nitro-phenyl)thio]tetrazole Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S2/c1-26(23,24)12-7-8-14(13(9-12)20(21)22)25-15-16-17-18-19(15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3