3-(2,4-dinitrophenyl)sulfanyl-4-phenyl-5-tridecyl-1,2,4-triazole

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-4-phenyl-5-tridecyl-1,2,4-triazole Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-4-phenyl-5-tridecyl-1,2,4-triazole CAS Name: 3-[(2,4-dinitrophenyl)thio]-4-phenyl-5-tridecyl-1,2,4-triazole IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-4-phenyl-5-tridecyl-1,2,4-triazole Traditional Name: 3-[(2,4-dinitrophenyl)thio]-4-phenyl-5-tridecyl-1,2,4-triazole Formula: C27H35N5O4S MolecularWeight: 525.6629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O4S/c1-2-3-4-5-6-7-8-9-10-11-15-18-26-28-29-27(30(26)22-16-13-12-14-17-22)37-25-20-19-23(31(33)34)21-24(25)32(35)36/h12-14,16-17,19-21H,2-11,15,18H2,1H3