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

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-(2-thienyl)isoxazole Formula: C16H16N4OS2 MolecularWeight: 344.45444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C16H16N4OS2/c1-2-14(22-7-1)13-8-11(19-21-13)9-23-16-18-17-15(10-3-4-10)20(16)12-5-6-12/h1-2,7-8,10,12H,3-6,9H2