5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1-(phenylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1-(phenylmethyl)-1,2,3,4-tetrazole Openeye Name: 1-benzyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-tetrazole CAS Name: 5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1-(phenylmethyl)tetrazole IUPAC Name: 1-benzyl-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyltetrazole Traditional Name: 1-benzyl-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]tetrazole Formula: C12H11N7O2S MolecularWeight: 317.32644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NN=NN2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NN=NN2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N7O2S/c1-17-8-13-10(19(20)21)11(17)22-12-14-15-16-18(12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3