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

Systemtic Name: 3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-(2-thienyl)isoxazole Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C20H18N4OS2/c1-2-5-14(6-3-1)12-24-19(15-8-9-15)21-22-20(24)27-13-16-11-17(25-23-16)18-7-4-10-26-18/h1-7,10-11,15H,8-9,12-13H2