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

Systemtic Name: 3-cyclopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclopropyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C12H14N6O2S/c1-2-5-17-11(9-3-4-9)14-15-12(17)21-8-16-7-10(6-13-16)18(19)20/h2,6-7,9H,1,3-5,8H2