5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NO4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NO4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O3S/c27-26(28)16-8-4-5-14(11-16)18-21-17(29-24-18)12-30-20-22-19(13-9-10-13)25(23-20)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2