2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C24H35N5O3S MolecularWeight: 473.6314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)N(C3CCCCC3)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)N(C3CCCCC3)C4CCCCC4)OC

InChI

InChI=1S/C24H35N5O3S/c1-31-20-14-13-17(15-21(20)32-2)23-26-27-24(29(23)25)33-16-22(30)28(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-15,18-19H,3-12,16,25H2,1-2H3