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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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