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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5O2S/c1-3-12-26-20(16-8-10-22-11-9-16)23-24-21(26)29-14-18-13-19(25-28-18)15-4-6-17(27-2)7-5-15/h3-11,13H,1,12,14H2,2H3