5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(2-methoxy-5-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(2-methoxy-5-nitro-benzyl)thio]-1H-1,2,4-triazole Formula: C10H10N4O3S MolecularWeight: 266.2764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=NN2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=NN2

InChI

InChI=1S/C10H10N4O3S/c1-17-9-3-2-8(14(15)16)4-7(9)5-18-10-11-6-12-13-10/h2-4,6H,5H2,1H3,(H,11,12,13)