5-methylsulfanyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 5-methylsulfanyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole Openeye Name: 1-benzyl-5-methylsulfanyl-3-nitro-1,2,4-triazole CAS Name: 5-(methylthio)-3-nitro-1-(phenylmethyl)-1,2,4-triazole IUPAC Name: 1-benzyl-5-methylsulfanyl-3-nitro-1,2,4-triazole Traditional Name: 1-benzyl-5-(methylthio)-3-nitro-1,2,4-triazole Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=NN1CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c1-17-10-11-9(14(15)16)12-13(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3