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

Systemtic Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[[(4-nitrophenyl)thio]methyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[[(4-nitrophenyl)thio]methyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C9H8N4O3S MolecularWeight: 252.24982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC2=NC(=O)NN2

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC2=NC(=O)NN2

InChI

InChI=1S/C9H8N4O3S/c14-9-10-8(11-12-9)5-17-7-3-1-6(2-4-7)13(15)16/h1-4H,5H2,(H2,10,11,12,14)