N-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4O2S/c1-3-5-26-20(18-4-6-28-14(18)2)24-25-21(26)29-13-19(27)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-4,6,15-17H,1,5,7-13H2,2H3,(H,23,27)