methyl 4-[5-(1-adamantylsulfanyl)-2,5-dihydro-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(1-adamantylsulfanyl)-2,5-dihydro-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(1-adamantylsulfanyl)-2,5-dihydrotetrazol-1-yl]benzoate CAS Name: 4-[5-(1-adamantylthio)-2,5-dihydrotetrazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(1-adamantylsulfanyl)-2,5-dihydrotetrazol-1-yl]benzoate Traditional Name: 4-[5-(1-adamantylthio)-2,5-dihydrotetrazol-1-yl]benzoic acid methyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(N=NN2)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(N=NN2)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H24N4O2S/c1-25-17(24)15-2-4-16(5-3-15)23-18(20-21-22-23)26-19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14,18H,6-11H2,1H3,(H,20,22)