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

Systemtic Name: 3-(2-chlorophenyl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C14H13ClN6O2S MolecularWeight: 364.81002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6O2S/c1-2-20-13(11-5-3-4-6-12(11)15)17-18-14(20)24-9-19-8-10(7-16-19)21(22)23/h3-8H,2,9H2,1H3