3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-4-phenyl-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C28H21N7O2S MolecularWeight: 519.57704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-])N6C=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-])N6C=CC=C6

InChI

InChI=1S/C28H21N7O2S/c36-35(37)24-15-13-21(14-16-24)20-38-28-31-30-26(33(28)22-9-3-1-4-10-22)25-19-29-34(23-11-5-2-6-12-23)27(25)32-17-7-8-18-32/h1-19H,20H2