5-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-3-nitro-benzyl)thio]-1H-1,2,4-triazole Formula: C9H7ClN4O2S MolecularWeight: 270.69548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC=NN2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H7ClN4O2S/c10-7-2-1-6(3-8(7)14(15)16)4-17-9-11-5-12-13-9/h1-3,5H,4H2,(H,11,12,13)