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

Systemtic Name: 3,5-dimethyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3,5-dimethyl-isoxazole Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-15-19(16(2)26-24-15)14-27-21-23-22-20(13-17-9-5-3-6-10-17)25(21)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3