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

Systemtic Name: 3-cyclopentyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclopentyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopentyl-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclopentyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclopentyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3CCCC3

InChI

InChI=1S/C14H18N6O2S/c1-2-7-19-13(11-5-3-4-6-11)16-17-14(19)23-10-18-9-12(8-15-18)20(21)22/h2,8-9,11H,1,3-7,10H2