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

Systemtic Name: 5-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3C4CC4)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3C4CC4)N5CCCCC5

InChI

InChI=1S/C21H25N5O2S/c1-27-17-9-5-15(6-10-17)19-13-18(28-24-19)14-29-21-23-22-20(26(21)16-7-8-16)25-11-3-2-4-12-25/h5-6,9-10,13,16H,2-4,7-8,11-12,14H2,1H3