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

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-methyl-3-nitrophenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-methyl-3-nitro-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-3-7-16-12(18)14-15-13(16)21-8-10-5-4-6-11(9(10)2)17(19)20/h4-6H,3,7-8H2,1-2H3,(H,14,18)