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

Systemtic Name: 3-(2,4-dichlorophenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2,4-dichlorophenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2,4-dichlorophenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2,4-dichlorophenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2,4-dichlorophenyl)-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C15H12Cl2N6O2S MolecularWeight: 411.26578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12Cl2N6O2S/c1-2-5-22-14(12-4-3-10(16)6-13(12)17)19-20-15(22)26-9-21-8-11(7-18-21)23(24)25/h2-4,6-8H,1,5,9H2