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

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C13H12N6O2S2 MolecularWeight: 348.40338

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C13H12N6O2S2/c1-2-5-18-12(11-4-3-6-22-11)15-16-13(18)23-9-17-8-10(7-14-17)19(20)21/h2-4,6-8H,1,5,9H2