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

Systemtic Name: 3-(2-chlorophenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-chlorophenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-chlorophenyl)-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C15H13ClN6O2S MolecularWeight: 376.82072

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C15H13ClN6O2S/c1-2-7-21-14(12-5-3-4-6-13(12)16)18-19-15(21)25-10-20-9-11(8-17-20)22(23)24/h2-6,8-9H,1,7,10H2