3-(4-chlorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O3S/c1-21-16(12-5-7-13(18)8-6-12)19-20-17(21)26-10-9-25-15-4-2-3-14(11-15)22(23)24/h2-8,11H,9-10H2,1H3