3-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-nitrophenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-nitrobenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-2-7-15-11(17)13-14-12(15)20-8-9-3-5-10(6-4-9)16(18)19/h3-6H,2,7-8H2,1H3,(H,13,17)