4-[5-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(1-adamantylamino)-2-oxoethyl]thio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[2-(1-adamantylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-(1-adamantylamino)-2-keto-ethyl]thio]tetrazol-1-yl]benzoate Formula: C20H22N5O3S- MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=NN4C5=CC=C(C=C5)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=NN4C5=CC=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C20H23N5O3S/c26-17(21-20-8-12-5-13(9-20)7-14(6-12)10-20)11-29-19-22-23-24-25(19)16-3-1-15(2-4-16)18(27)28/h1-4,12-14H,5-11H2,(H,21,26)(H,27,28)/p-1