5-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-methyl-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-methyl-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazole Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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