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

Systemtic Name: 5-phenyl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 5-phenyl-3-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 5-phenyl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-isoxazole Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H17N5OS/c1-2-12-25-19(16-8-10-21-11-9-16)22-23-20(25)27-14-17-13-18(26-24-17)15-6-4-3-5-7-15/h2-11,13H,1,12,14H2