4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SC/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N3O2S/c1-29-22-16-15-20(18-23(22)30-2)24-26-27-25(28(24)21-13-7-4-8-14-21)31-17-9-12-19-10-5-3-6-11-19/h3,5-6,9-12,15-16,18,21H,4,7-8,13-14,17H2,1-2H3/b12-9+