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

Systemtic Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NO4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NO4)CC5=CC=CC=C5

InChI

InChI=1S/C21H19N5OS/c1-3-7-15(8-4-1)13-18-22-19(27-25-18)14-28-21-23-20(16-11-12-16)26(24-21)17-9-5-2-6-10-17/h1-10,16H,11-14H2