3-[2-(4-nitrophenyl)sulfanylethyl]-4-propyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-nitrophenyl)sulfanylethyl]-4-propyl-1,2,4-triazole Openeye Name: 3-[2-(4-nitrophenyl)sulfanylethyl]-4-propyl-1,2,4-triazole CAS Name: 3-[2-[(4-nitrophenyl)thio]ethyl]-4-propyl-1,2,4-triazole IUPAC Name: 3-[2-(4-nitrophenyl)sulfanylethyl]-4-propyl-1,2,4-triazole Traditional Name: 3-[2-[(4-nitrophenyl)thio]ethyl]-4-propyl-1,2,4-triazole Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NN=C1CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN1C=NN=C1CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-2-8-16-10-14-15-13(16)7-9-20-12-5-3-11(4-6-12)17(18)19/h3-6,10H,2,7-9H2,1H3