5-(3-nitrophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(3-nitrophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(3-nitrophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(3-nitrophenyl)-3-(prop-2-ynylthio)-1H-1,2,4-triazole IUPAC Name: 5-(3-nitrophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(3-nitrophenyl)-3-(propargylthio)-1H-1,2,4-triazole Formula: C11H8N4O2S MolecularWeight: 260.27182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NNC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCSC1=NNC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O2S/c1-2-6-18-11-12-10(13-14-11)8-4-3-5-9(7-8)15(16)17/h1,3-5,7H,6H2,(H,12,13,14)