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

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)methylthio]-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrobenzyl)thio]-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C23H19N7O2S MolecularWeight: 457.50766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C23H19N7O2S/c1-27-21(25-26-23(27)33-16-17-9-11-19(12-10-17)30(31)32)20-15-24-29(18-7-3-2-4-8-18)22(20)28-13-5-6-14-28/h2-15H,16H2,1H3