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

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C14H14N6O2S2 MolecularWeight: 362.42996

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C14H14N6O2S2/c1-2-5-19-13(7-12-4-3-6-23-12)16-17-14(19)24-10-18-9-11(8-15-18)20(21)22/h2-4,6,8-9H,1,5,7,10H2