2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O2S/c1-2-5-27-20(13-23-10-16-7-17(11-23)9-18(8-16)12-23)25-26-22(27)30-15-21(28)24-14-19-4-3-6-29-19/h2-4,6,16-18H,1,5,7-15H2,(H,24,28)