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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N6O3S/c1-31-17-4-2-16(3-5-17)19-26-27-21(28(19)23)32-12-18(29)24-20(30)25-22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,13-15H,6-12,23H2,1H3,(H2,24,25,29,30)