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

Systemtic Name: 3-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclopropyl-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C13H14N4O2S/c1-16-12(10-4-5-10)14-15-13(16)20-8-9-2-6-11(7-3-9)17(18)19/h2-3,6-7,10H,4-5,8H2,1H3