3-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-5-(2-thienyl)isoxazole Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H20N4O2S2/c1-3-9-25-20(13-26-17-7-4-6-15(2)11-17)22-23-21(25)29-14-16-12-18(27-24-16)19-8-5-10-28-19/h3-8,10-12H,1,9,13-14H2,2H3