3,4-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3,4-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3,4-dimethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-dimethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-8-12-13-11(14(8)2)18-7-9-3-5-10(6-4-9)15(16)17/h3-6H,7H2,1-2H3