4-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-(2-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-(2-thienyl)-1H-1,2,4-triazole-5-thione Formula: C22H15N7O2S2 MolecularWeight: 473.5302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=NN4C(=NNC4=S)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])/C=N/N4C(=NNC4=S)C5=CC=CS5

InChI

InChI=1S/C22H15N7O2S2/c30-29(31)18-10-8-15(9-11-18)20-16(14-27(26-20)17-5-2-1-3-6-17)13-23-28-21(24-25-22(28)32)19-7-4-12-33-19/h1-14H,(H,25,32)/b23-13+