4-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-ethyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(2-methyl-3-nitrophenyl)methylthio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-ethyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-benzyl-4-ethyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-3-22-18(12-15-8-5-4-6-9-15)20-21-19(22)26-13-16-10-7-11-17(14(16)2)23(24)25/h4-11H,3,12-13H2,1-2H3