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

Systemtic Name: 5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)isoxazole CAS Name: 5-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(2-methoxyphenyl)isoxazole IUPAC Name: 5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(2-methoxyphenyl)isoxazole Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H19N5O2S/c1-27-19-7-3-2-6-17(19)18-11-16(28-25-18)13-29-21-24-23-20(26(21)15-8-9-15)14-5-4-10-22-12-14/h2-7,10-12,15H,8-9,13H2,1H3