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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C21H25N5O2S/c1-3-13-26-19(15-7-5-4-6-8-15)23-25-21(26)29-14-18-22-24-20(28-18)16-9-11-17(27-2)12-10-16/h3,9-12,15H,1,4-8,13-14H2,2H3