N-(1-adamantylmethyl)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27ClN4O2S/c1-29-18-3-2-16(23)7-17(18)20-25-21(27-26-20)30-11-19(28)24-12-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,24,28)(H,25,26,27)