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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-3-18-11-13-12-10(14(11)2)8-4-6-9(7-5-8)15(16)17/h4-7H,3H2,1-2H3