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

Systemtic Name: 3,5-dimethyl-4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 4-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethyl-isoxazole Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H19N5OS/c1-14-18(15(2)26-24-14)13-27-20-23-22-19(17-9-6-10-21-11-17)25(20)12-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3