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

Systemtic Name: 5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-3-13-26-21(17-7-5-4-6-8-17)23-24-22(26)29-15-19-14-20(25-28-19)16-9-11-18(27-2)12-10-16/h3,9-12,14,17H,1,4-8,13,15H2,2H3