5-[(4-nitrophenyl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-[(4-nitrophenyl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[(4-nitrophenyl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[[(4-nitrophenyl)methylthio]methyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[(4-nitrophenyl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[[(4-nitrobenzyl)thio]methyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C10H10N4O3S MolecularWeight: 266.2764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=NC(=O)NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC2=NC(=O)NN2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O3S/c15-10-11-9(12-13-10)6-18-5-7-1-3-8(4-2-7)14(16)17/h1-4H,5-6H2,(H2,11,12,13,15)