3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylthio]-5-phenyl-1,2,4-triazole Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H14N6O2S/c1-2-8-20-14(12-6-4-3-5-7-12)17-18-15(20)24-11-19-10-13(9-16-19)21(22)23/h2-7,9-10H,1,8,11H2