1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]ethanone Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-3-4-12-14-13(16-15-12)21-11-6-5-9(8(2)18)7-10(11)17(19)20/h5-7H,3-4H2,1-2H3,(H,14,15,16)