3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H17ClN4O2S/c1-25-20(12-15-8-4-7-14-6-2-3-9-16(14)15)23-24-21(25)29-13-17-18(22)10-5-11-19(17)26(27)28/h2-11H,12-13H2,1H3