4-(4-ethoxy-2-nitro-phenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-ethoxy-2-nitro-phenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-ethoxy-2-nitro-phenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-ethoxy-2-nitrophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-ethoxy-2-nitrophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-ethoxy-2-nitro-phenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Formula: C19H15N6O3S- MolecularWeight: 407.4258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=CC(=NN3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=CC(=NN3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3S/c1-2-28-13-8-9-16(17(10-13)25(26)27)24-18(22-23-19(24)29)15-11-14(20-21-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,21)(H,23,29)/p-1