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

Systemtic Name: 5-cyclopropyl-3-[(2-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(2-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(2-nitrophenyl)methylthio]-1-phenyl-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(2-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(2-nitrobenzyl)thio]-1-phenyl-1,2,4-triazole Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c23-22(24)16-9-5-4-6-14(16)12-25-18-19-17(13-10-11-13)21(20-18)15-7-2-1-3-8-15/h1-9,13H,10-12H2