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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 5-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 5-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-31-21-11-9-19(10-12-21)23-14-22(32-29-23)17-33-25-28-27-24(20-8-5-13-26-15-20)30(25)16-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3