N-(1-adamantylmethyl)-2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N5O3S/c1-30-18-3-2-4-19(8-18)31-12-20-26-27-22(28(20)24)32-13-21(29)25-14-23-9-15-5-16(10-23)7-17(6-15)11-23/h2-4,8,15-17H,5-7,9-14,24H2,1H3,(H,25,29)