3-(3-chlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClN4O2S/c1-20-15(12-3-2-4-13(17)9-12)18-19-16(20)24-10-11-5-7-14(8-6-11)21(22)23/h2-9H,10H2,1H3