3-methylsulfanyl-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-methylsulfanyl-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-methylsulfanyl-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole CAS Name: 3-(methylthio)-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-methylsulfanyl-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(methylthio)-5-(2-nitrobenzyl)-1H-1,2,4-triazole Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=N1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

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