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

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(5-chloro-2-methoxy-phenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(5-chloro-2-methoxyphenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(5-chloro-2-methoxy-phenyl)-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C16H15ClN6O3S MolecularWeight: 406.8467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN6O3S/c1-3-6-22-15(13-7-11(17)4-5-14(13)26-2)19-20-16(22)27-10-21-9-12(8-18-21)23(24)25/h3-5,7-9H,1,6,10H2,2H3