3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-isoxazole Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NOC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NOC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C18H18N4OS/c1-2-4-12(5-3-1)16-10-14(21-23-16)11-24-18-20-19-17(13-6-7-13)22(18)15-8-9-15/h1-5,10,13,15H,6-9,11H2