4-[2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C24H27N4O3S- MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N4O3S/c1-2-7-28-22(24-11-15-8-16(12-24)10-17(9-15)13-24)26-27-23(28)32-14-20(29)25-19-5-3-18(4-6-19)21(30)31/h2-6,15-17H,1,7-14H2,(H,25,29)(H,30,31)/p-1