N-(1-adamantylcarbamoyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H24N6O2S/c27-17(12-29-19-23-24-25-26(19)16-4-2-1-3-5-16)21-18(28)22-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,13-15H,6-12H2,(H2,21,22,27,28)