1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C(=O)N(N=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C(=O)N(N=N4)C5=CC=CS5

InChI

InChI=1S/C17H20N4O2S/c22-14(17-7-11-4-12(8-17)6-13(5-11)9-17)10-20-16(23)21(19-18-20)15-2-1-3-24-15/h1-3,11-13H,4-10H2