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

Systemtic Name: N-(1-adamantyl)-2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H35N5OS MolecularWeight: 417.6112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H35N5OS/c23-27-19(7-6-15-4-2-1-3-5-15)25-26-21(27)29-14-20(28)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-18H,1-14,23H2,(H,24,28)