3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-nitrophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-nitrobenzyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C15H12N4O2S MolecularWeight: 312.34638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c20-19(21)13-8-6-11(7-9-13)10-14-16-17-15(22)18(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,22)