3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(m-tolyl)-4-propyl-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-5-(m-tolyl)-4-propyl-1,2,4-triazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H22N4O3S/c1-4-10-23-19(15-7-5-6-14(2)11-15)21-22-20(23)28-13-16-12-17(24(25)26)8-9-18(16)27-3/h5-9,11-12H,4,10,13H2,1-3H3