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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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