5-(furan-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(furan-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-furyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-furanyl)-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(furan-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-furyl)-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O3S/c18-17(19)10-5-3-9(4-6-10)8-21-13-14-12(15-16-13)11-2-1-7-20-11/h1-7H,8H2,(H,14,15,16)